data_2xa6_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 2xa6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.0 tp . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.47 111.911 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.649 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.86 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7 110.046 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.79 111.0 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.649 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 3.06 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.98 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.08 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.72 111.317 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.909 HD12 HD12 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 1.04 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.63 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.92 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 2.16 109.002 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 1.14 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.73 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 1.05 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.561 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 1.26 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.29 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 1.38 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.532 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 1.13 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.42 110.127 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.6 112.163 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 2.05 110.349 178.038 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.5 tp . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.47 112.035 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.658 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.85 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.78 111.119 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 3.06 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.98 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 2.39 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.08 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.72 111.334 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 1.04 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.63 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.93 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 2.16 109.038 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 1.14 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.73 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.532 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 1.05 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 1.26 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 2.29 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 1.38 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 1.13 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.42 110.192 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.6 112.171 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.01 110.621 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 2.04 110.209 177.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.536 HD12 HG23 ' A' ' 129' ' ' ILE . 53.9 tp . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.47 112.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.86 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7 110.341 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.79 111.101 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 3.06 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.98 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 2.39 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.08 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.72 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 1.04 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.588 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.63 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.92 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 2.16 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 1.14 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.73 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 1.05 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 1.26 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 2.29 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 1.38 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 1.13 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.42 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.6 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 104' ' ' LEU . 97.5 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 2.05 110.711 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.532 HD12 HG23 ' B' ' 129' ' ' ILE . 51.9 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.47 112.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.85 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.78 110.936 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 3.06 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.98 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 2.39 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.08 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.72 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.62 HD22 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 1.04 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.575 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.63 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.93 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 2.16 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 1.14 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.73 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 1.05 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.62 ' HG2' HD22 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 1.26 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 2.29 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 1.38 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 1.13 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.42 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.6 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.01 110.526 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.532 HG23 HD12 ' B' ' 104' ' ' LEU . 97.4 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 2.04 110.585 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 58.6 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.964 0.357 . . . . 3.47 111.964 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.86 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7 109.804 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.79 110.966 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.756 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 3.06 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.98 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 2.39 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.08 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.72 111.617 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.877 HD12 HD12 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.63 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.92 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 2.16 109.315 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 1.14 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.73 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 1.05 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 1.26 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 2.29 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 1.38 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 1.13 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.42 110.419 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.6 112.078 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 2.05 110.229 177.362 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.408 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 58.4 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.999 0.37 . . . . 3.47 111.999 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.766 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.85 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.78 110.959 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.766 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 3.06 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.98 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 2.39 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.08 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.72 111.748 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 1.04 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.63 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.93 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 2.16 109.286 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 1.14 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.73 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 1.05 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.577 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 1.26 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 2.29 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 1.38 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 1.13 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.42 110.257 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.6 112.217 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.01 110.799 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 2.04 110.231 177.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 52.0 tp . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.007 0.373 . . . . 3.47 112.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.699 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.86 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7 109.953 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.79 111.091 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.699 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 3.06 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.98 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 125' ' ' LEU . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 2.39 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.08 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.72 112.47 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.978 HD12 HD12 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 1.04 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.63 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.92 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.416 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 2.16 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 1.14 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.73 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 1.05 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 1.26 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 2.29 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 1.38 110.776 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 1.13 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.42 110.496 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.6 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.452 HD13 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 2.05 110.29 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 52.5 tp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.029 0.381 . . . . 3.47 112.029 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.704 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.85 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.78 111.026 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.704 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 3.06 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.98 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 2.39 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.08 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.72 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 1.04 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.63 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.93 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 2.16 109.038 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 1.14 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.73 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 1.05 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 1.26 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 2.29 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 1.38 110.713 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.13 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.42 110.466 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.6 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.01 110.346 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.461 HD13 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 2.04 110.327 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 129' ' ' ILE . 58.2 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.47 112.376 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.86 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7 110.296 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.79 111.248 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.607 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 3.06 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.98 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.548 ' O ' ' HE2' ' A' ' 122' ' ' MET . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 2.39 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.08 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.72 112.631 -173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.924 HD12 HD12 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 1.04 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.63 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.92 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 2.16 109.44 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 1.14 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.73 111.19 -174.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.573 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 1.05 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.559 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 1.26 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 2.29 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 1.38 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.556 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 1.13 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.42 110.234 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.6 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 2.05 110.534 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 58.3 tp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.47 112.529 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.599 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.85 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.78 111.205 -179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.599 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 3.06 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.98 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 2.39 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.08 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.72 112.649 -173.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 1.04 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.63 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.93 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 2.16 109.53 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 1.14 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.73 111.087 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.556 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 1.05 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 1.26 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 2.29 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 1.38 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 1.13 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.228 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.6 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.01 110.97 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.508 HD11 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 2.04 110.477 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 62.4 tp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.47 112.347 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.86 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7 110.156 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.79 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.605 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 3.06 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.98 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 2.39 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.08 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.72 111.339 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.967 HD13 HD13 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 1.04 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.63 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.92 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 2.16 109.317 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 1.14 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.73 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 1.05 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 1.26 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 2.29 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 1.38 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 1.13 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.42 110.393 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.6 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 2.05 110.07 178.093 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.7 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.47 112.252 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.614 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.85 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.78 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.614 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 3.06 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.98 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 2.39 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.72 111.291 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.967 HD13 HD13 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 1.04 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.63 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.93 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 2.16 109.321 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 1.14 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.73 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 1.05 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.566 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 1.26 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 2.29 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 1.38 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 1.13 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.42 110.433 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.6 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.01 110.459 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 2.04 110.265 177.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 65.7 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.47 112.467 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.615 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.86 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7 110.185 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.79 110.806 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.615 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 3.06 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.98 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HE2' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 2.39 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.08 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.41 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.72 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.914 HD12 HD12 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 1.04 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.63 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.92 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 2.16 109.299 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 1.14 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.73 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 1.05 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.572 ' HE2' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 1.26 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 2.29 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 1.38 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB1' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 1.13 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.42 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.6 111.957 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 104' ' ' LEU . 94.7 mt . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 2.05 110.079 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 65.2 tp . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.47 112.322 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.85 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.78 110.872 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.606 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 3.06 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.98 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HE2' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 2.39 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.08 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.72 112.566 -173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.914 HD12 HD12 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 1.04 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.63 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.93 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 2.16 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 1.14 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.73 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 1.05 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.557 ' HE2' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 1.26 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 2.29 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 1.38 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 1.13 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.42 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.6 111.978 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.01 110.912 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.412 HG23 HD13 ' B' ' 104' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 2.04 110.126 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 129' ' ' ILE . 59.5 tp . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.47 112.472 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.86 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7 110.178 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.79 111.124 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 3.06 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.98 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 2.39 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.08 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.72 112.334 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 1.04 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.63 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.92 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 2.16 109.458 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 1.14 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.73 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 1.05 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.551 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 1.26 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 2.29 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 1.38 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.542 HD13 ' HB1' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 1.13 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.42 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.6 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 104' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 2.05 110.067 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.551 HD13 HG21 ' B' ' 129' ' ' ILE . 59.4 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.47 112.559 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.85 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.78 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 3.06 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.98 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 2.39 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.08 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.72 112.503 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 1.04 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.63 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.93 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 2.16 109.514 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 1.14 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.73 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.542 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 1.05 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.552 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 1.26 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 2.29 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 1.38 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.13 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.42 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.6 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.01 110.549 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.551 HG21 HD13 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 2.04 110.182 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 129' ' ' ILE . 64.6 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.47 112.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.86 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7 110.408 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.79 111.184 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.488 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 3.06 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.98 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 2.39 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.08 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.72 111.156 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.938 HD12 HD12 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 1.04 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.63 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.92 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 2.16 109.771 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 1.14 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.73 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 1.05 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 1.26 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 2.29 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 1.38 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 1.13 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.42 110.238 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.6 112.111 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 104' ' ' LEU . 93.0 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 2.05 110.526 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.461 HD13 HG23 ' B' ' 129' ' ' ILE . 65.1 tp . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.47 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.85 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.78 111.24 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 3.06 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.98 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 2.39 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.08 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.72 111.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.938 HD12 HD12 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 1.04 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.63 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.93 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 2.16 109.801 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 1.14 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.73 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 1.05 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.568 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 1.26 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.29 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 1.38 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 1.13 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.42 110.194 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.6 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.01 110.583 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.461 HG23 HD13 ' B' ' 104' ' ' LEU . 94.1 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 2.04 110.579 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 57.3 tp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.47 111.977 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.86 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7 109.505 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.79 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.657 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 3.06 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.98 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.562 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 2.39 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.08 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.72 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 HD12 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 1.04 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.463 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.63 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.92 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 2.16 108.746 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 1.14 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.73 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 1.05 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.573 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 1.26 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 2.29 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 1.38 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB1' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 1.13 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.42 110.317 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.6 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 2.05 110.218 177.071 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 56.5 tp . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.47 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.641 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.85 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.78 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 3.06 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.98 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 2.39 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.08 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.72 111.418 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 1.004 HD12 HD12 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 1.04 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.461 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.63 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.93 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 2.16 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 1.14 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.562 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.73 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 1.05 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 1.26 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.414 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 2.29 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 1.38 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 1.13 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.42 110.434 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.6 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.01 110.419 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 2.04 110.131 176.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.557 HD12 HG22 ' A' ' 129' ' ' ILE . 53.7 tp . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 112.22 0.452 . . . . 3.47 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.708 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.86 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.79 110.984 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.708 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 3.06 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.98 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 2.39 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.08 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.72 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 1.04 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.63 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.92 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.588 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 2.16 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 1.14 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.73 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.544 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 1.05 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 1.26 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 2.29 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 1.38 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB1' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 1.13 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.42 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.6 112.414 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 104' ' ' LEU . 92.8 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 2.05 110.028 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.552 HD12 HG22 ' B' ' 129' ' ' ILE . 54.2 tp . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.306 0.484 . . . . 3.47 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.718 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.85 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.78 111.21 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.718 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 3.06 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.98 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.08 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.72 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.737 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.63 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.93 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 2.16 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 1.14 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.73 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 1.05 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.737 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 1.26 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 2.29 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 1.38 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 1.13 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.42 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.6 112.325 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.01 110.854 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.552 HG22 HD12 ' B' ' 104' ' ' LEU . 93.4 mt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 2.04 109.872 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 48.9 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.608 0.596 . . . . 3.47 112.608 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.611 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.86 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.79 110.814 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.06 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.98 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 2.39 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.72 111.44 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 1.04 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.63 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.92 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 2.16 109.078 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 1.14 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.73 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 1.05 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.58 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 1.26 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 2.29 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 1.38 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 1.13 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.42 110.418 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.6 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 2.05 110.754 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 46.7 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.622 0.601 . . . . 3.47 112.622 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.62 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.85 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.78 110.693 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 3.06 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.98 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 2.39 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.08 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.72 111.422 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 1.04 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.63 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.93 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 2.16 109.044 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 1.14 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.73 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 1.05 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.576 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 1.26 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 2.29 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 1.38 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 1.13 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.42 110.509 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.6 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.01 110.326 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 2.04 110.813 176.331 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 55.0 tp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.47 112.634 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.86 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7 110.085 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 104' ' ' LEU . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.79 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 3.06 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.98 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' O ' ' HE2' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 2.39 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.08 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.72 112.714 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.923 HD12 HD12 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 1.04 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.63 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.92 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 2.16 109.109 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 1.14 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.73 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 1.05 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 1.26 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 2.29 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 1.38 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.541 HD12 ' HB1' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 1.13 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.42 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.6 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' LEU . 86.3 mt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 2.05 110.37 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 55.5 tp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.47 112.648 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.85 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 104' ' ' LEU . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.78 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 3.06 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.98 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.538 ' O ' ' HE2' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 2.39 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.08 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.72 112.722 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.923 HD12 HD12 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 1.04 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.63 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.93 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 2.16 109.178 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 1.14 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.73 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 1.05 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.543 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 1.26 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 2.29 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 1.38 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 1.13 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.42 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.6 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.01 110.609 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 2.04 110.324 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.47 112.178 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.59 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.86 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.79 111.181 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.59 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 3.06 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.98 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 2.39 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.08 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.72 111.965 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 1.04 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.63 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.92 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 115' ' ' ASP . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 2.16 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 1.14 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.463 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.73 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 1.05 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 1.26 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 2.29 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 1.38 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 1.13 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.6 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 2.05 110.216 177.13 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.47 112.346 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.85 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.78 111.234 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.596 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 3.06 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.98 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 2.39 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.08 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.72 111.9 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 1.04 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.63 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.93 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 2.16 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.73 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 1.05 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.556 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 1.26 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 2.29 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 1.38 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 1.13 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.42 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.6 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.01 110.801 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 2.04 110.118 177.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.479 HD12 HG23 ' A' ' 129' ' ' ILE . 59.8 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.47 112.643 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.86 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7 110.165 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.79 110.992 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 3.06 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.98 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HA ' HD12 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 2.39 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.08 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.72 111.1 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.89 HD12 HD12 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 1.04 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.63 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.92 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 2.16 109.265 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 1.14 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.73 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 1.05 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.564 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 1.26 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 2.29 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 1.38 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 1.13 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.42 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.6 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 104' ' ' LEU . 95.4 mt . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 2.05 110.224 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.492 HD13 HG23 ' B' ' 129' ' ' ILE . 59.7 tp . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.47 112.414 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.85 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.78 110.886 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 3.06 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.98 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HA ' HD12 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 2.39 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.08 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.72 111.241 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 1.04 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.63 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.93 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 2.16 109.328 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 1.14 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.73 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 1.05 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 1.26 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 2.29 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 1.38 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 1.13 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.42 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.6 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.01 110.635 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.492 HG23 HD13 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 2.04 110.165 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.992 0.367 . . . . 3.47 111.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.86 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.79 111.141 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.664 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 3.06 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.98 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.525 ' O ' ' HE2' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 2.39 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.08 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.72 112.32 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.883 HD12 HD12 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 1.04 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.63 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.92 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 2.16 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 1.14 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.73 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 1.05 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.543 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 1.26 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 2.29 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 1.38 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.542 HD12 ' HB1' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 1.13 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.42 110.54 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.6 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 125' ' ' LEU . 93.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 2.05 110.285 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.017 0.377 . . . . 3.47 112.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.682 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.85 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.78 111.017 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.682 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 3.06 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.98 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.525 ' O ' ' HE2' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 2.39 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.08 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.72 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 1.04 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.63 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.93 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 2.16 109.138 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 1.14 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.73 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 1.05 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.539 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 1.26 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 2.29 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 1.38 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 1.13 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.42 110.546 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.6 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.01 110.559 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 125' ' ' LEU . 92.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 2.04 110.351 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 129' ' ' ILE . 55.3 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 111.976 0.361 . . . . 3.47 111.976 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.86 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.79 110.463 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 3.06 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.98 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 125' ' ' LEU . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 2.39 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.08 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.72 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.888 HD12 HD12 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 1.04 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.63 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.92 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 2.16 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 1.14 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.73 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.555 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 1.05 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 1.26 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 2.29 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 1.38 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.56 HD13 ' HB1' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 1.13 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.42 110.388 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.6 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.499 HD11 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 2.05 110.171 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.448 HD12 HG21 ' B' ' 129' ' ' ILE . 55.4 tp . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 111.937 0.347 . . . . 3.47 111.937 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.85 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.78 110.396 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 3.06 111.682 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.98 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 2.39 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.08 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.72 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.888 HD12 HD12 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 1.04 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.63 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.93 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.406 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 2.16 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 1.14 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.73 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 1.05 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 1.26 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 2.29 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 1.38 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 1.13 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.42 110.274 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.6 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.01 110.71 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.496 HD11 ' HD2' ' B' ' 111' ' ' LYS . 94.1 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 2.04 110.137 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.3 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.47 112.289 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.62 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.86 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.635 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.79 111.004 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.62 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 3.06 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.98 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 2.39 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.08 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.72 111.386 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 HD12 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 1.04 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.63 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.92 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 2.16 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 1.14 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.638 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.73 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 1.05 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.568 ' HE2' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 1.26 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 2.29 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 1.38 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 1.13 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.42 110.46 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.6 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 2.05 110.285 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.4 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.47 112.295 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.85 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.638 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.78 111.166 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.639 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.06 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.98 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.562 ' O ' ' HE2' ' B' ' 122' ' ' MET . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 2.39 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.08 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.72 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.934 HD12 HD12 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 1.04 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.63 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.93 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 2.16 109.134 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 1.14 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.635 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.73 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 1.05 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.566 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 1.26 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 2.29 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 1.38 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 1.13 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.42 110.478 -177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.6 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.01 110.584 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 2.04 110.205 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 111.988 0.366 . . . . 3.47 111.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.706 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.86 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7 110.006 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.79 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.706 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 3.06 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.98 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HA ' HD11 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 2.39 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.08 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.72 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.941 HD12 HD12 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 1.04 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.63 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.92 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 2.16 109.887 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 1.14 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.618 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.585 ' HB3' HD12 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 1.05 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.549 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 1.26 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 2.29 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 1.38 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.576 HD12 ' HB1' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 1.13 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.42 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.6 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 2.05 110.114 176.422 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.077 0.399 . . . . 3.47 112.077 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.725 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.85 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.78 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.725 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 3.06 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.98 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HA ' HD11 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 2.39 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.08 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.72 112.591 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.941 HD12 HD12 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 1.04 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.63 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.93 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.408 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 2.16 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 1.14 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.73 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 1.05 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.553 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 1.26 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 2.29 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 1.38 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 1.13 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.42 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.6 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.01 110.598 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 2.04 109.999 176.439 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD12 HG22 ' A' ' 129' ' ' ILE . 60.3 tp . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.776 0.287 . . . . 3.47 111.776 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.86 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.677 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.79 110.88 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.585 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 3.06 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.98 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.563 ' O ' ' HE2' ' A' ' 122' ' ' MET . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 2.39 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.08 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.72 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 1.04 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.63 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.92 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 2.16 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 1.14 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.664 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.73 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 1.05 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 1.26 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 2.29 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.38 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 1.13 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.42 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.6 112.19 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 104' ' ' LEU . 92.3 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 2.05 109.875 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.438 HD12 HG22 ' B' ' 129' ' ' ILE . 60.4 tp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 111.615 0.228 . . . . 3.47 111.615 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' PRO . . . . . 0.586 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.85 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.664 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.78 110.81 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.586 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 3.06 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.98 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.566 ' O ' ' HE2' ' B' ' 122' ' ' MET . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 2.39 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.08 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.72 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 1.04 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.63 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.93 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 2.16 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 1.14 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.73 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.564 ' HB3' HD13 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 1.05 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.571 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 1.26 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 2.29 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 1.38 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 1.13 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.42 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.6 112.359 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.01 111.079 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.438 HG22 HD12 ' B' ' 104' ' ' LEU . 91.3 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 2.04 109.857 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 CA-C-O 121.274 0.448 . . . . 5.71 113.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -58.46 -39.64 80.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.391 -1.277 . . . . 5.13 111.611 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -37.37 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.834 -0.621 . . . . 5.19 111.675 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 20.8 ttpt -93.94 -29.44 15.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 6.63 110.608 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.665 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 39.8 t80 -62.31 -35.39 78.92 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.488 0.715 . . . . 3.39 111.776 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.56 HD12 ' HB ' ' A' ' 132' ' ' ILE . 61.0 tp -63.1 -53.89 50.65 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.47 111.911 -176.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.649 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.86 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7 110.046 174.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 103' ' ' TYR . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.79 111.0 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.649 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 3.06 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.98 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.08 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.72 111.317 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.909 HD12 HD12 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 1.04 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.63 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.92 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 2.16 109.002 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 1.14 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.73 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 1.05 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.561 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 1.26 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.29 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 1.38 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.532 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 1.13 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.42 110.127 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.6 112.163 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.665 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.65 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 2.05 110.349 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 126' ' ' THR . 51.3 mt-10 -57.82 -40.53 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 2.25 110.713 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 56.2 mttm -66.14 -42.75 88.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 4.07 111.239 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.56 ' HB ' HD12 ' A' ' 104' ' ' LEU . 13.7 mt -69.63 -41.49 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.786 0.327 . . . . 3.02 110.6 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.9 -42.5 89.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 3.49 111.421 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.8 ptmm? -79.47 -37.64 36.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.414 -0.357 . . . . 4.18 110.959 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.462 -1.188 . . . . 4.46 111.551 -177.155 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.378 0.491 . . . . 5.71 112.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.6 -39.59 80.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.458 -1.246 . . . . 5.14 111.722 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -37.93 79.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 5.19 111.854 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 20.9 ttpt -93.61 -29.53 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.953 0.406 . . . . 6.63 110.585 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.668 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 38.8 t80 -62.19 -35.67 79.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.562 0.745 . . . . 3.38 111.669 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.567 HD12 ' HB ' ' B' ' 132' ' ' ILE . 61.5 tp -62.93 -53.87 51.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.47 112.035 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.658 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.85 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' B' ' 103' ' ' TYR . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.78 111.119 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.658 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 3.06 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.98 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 2.39 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.08 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.72 111.334 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 1.04 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.63 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.93 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 2.16 109.038 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 1.14 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.73 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.532 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 1.05 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 1.26 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 2.29 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 1.38 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 1.13 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.538 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.42 110.192 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.508 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.6 112.171 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.668 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.01 110.621 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.38 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 2.04 110.209 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 126' ' ' THR . 51.4 mt-10 -57.79 -40.42 79.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 2.25 110.746 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 56.2 mttm -66.11 -42.93 88.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.908 -0.587 . . . . 4.07 111.124 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' B' ' 104' ' ' LEU . 13.7 mt -69.38 -41.3 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 3.01 110.745 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -59.23 -42.36 90.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.94 -0.573 . . . . 3.49 111.137 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.7 ptmm? -79.43 -38.49 34.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.482 -0.326 . . . . 4.18 110.937 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 118.678 -1.068 . . . . 4.46 111.751 -177.403 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.345 -0.29 . . . . 5.71 111.345 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 5.7 mm-40 -59.02 -25.16 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 5.13 110.875 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.9 76.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.529 -0.76 . . . . 5.19 111.115 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 58.4 mtpt -98.9 -27.96 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 6.63 111.067 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.883 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 50.6 t80 -63.1 -31.04 72.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.243 0.617 . . . . 3.39 111.416 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.546 HD11 ' HB ' ' A' ' 132' ' ' ILE . 53.9 tp -65.22 -54.89 29.48 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.47 112.541 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.86 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7 110.341 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD13 ' CE2' ' A' ' 103' ' ' TYR . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.79 111.101 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 3.06 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.98 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 2.39 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.08 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.72 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 1.04 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.588 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.63 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.92 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 2.16 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 1.14 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.73 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 1.05 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 1.26 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 2.29 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 1.38 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 1.13 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.42 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.6 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.883 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 104' ' ' LEU . 97.5 mt -64.9 -42.58 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 2.05 110.711 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.46 -37.97 76.56 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.805 0.812 . . . . 2.25 109.892 175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 75.8 tttt -63.9 -48.94 74.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.496 -1.229 . . . . 4.07 111.543 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.546 ' HB ' HD11 ' A' ' 104' ' ' LEU . 9.2 mt -70.87 -40.09 76.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.909 0.385 . . . . 3.02 111.336 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.02 -28.69 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.16 -0.473 . . . . 3.49 112.04 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.44 -23.7 50.45 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.507 -0.477 . . . . 4.18 110.671 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.484 -1.176 . . . . 4.46 111.809 179.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.46 -0.465 0 N-CA-C 111.233 -0.334 . . . . 5.71 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.582 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 6.1 mm-40 -58.95 -25.34 63.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 5.14 110.825 -176.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -33.57 75.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.444 -0.798 . . . . 5.19 111.305 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 58.4 mtpt -99.25 -28.14 13.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 6.63 110.839 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.859 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 50.7 t80 -62.82 -31.19 72.14 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 123.294 0.638 . . . . 3.38 111.462 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.557 HD11 ' HB ' ' B' ' 132' ' ' ILE . 51.9 tp -65.2 -54.93 29.37 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.47 112.356 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.85 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.475 HD12 ' CE2' ' B' ' 103' ' ' TYR . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.78 110.936 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 3.06 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.98 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 2.39 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.08 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.72 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.62 HD22 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 1.04 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.575 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.63 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.93 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 2.16 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 1.14 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.73 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 1.05 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.62 ' HG2' HD22 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 1.26 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 2.29 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 1.38 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 1.13 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.42 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.6 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.859 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.01 110.526 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.532 HG23 HD12 ' B' ' 104' ' ' LEU . 97.4 mt -64.62 -42.61 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 2.04 110.585 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.66 -37.73 76.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.782 0.801 . . . . 2.25 109.867 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 76.0 tttt -64.06 -48.62 75.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.536 -1.211 . . . . 4.07 111.73 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.557 ' HB ' HD11 ' B' ' 104' ' ' LEU . 9.2 mt -71.46 -39.65 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.95 0.405 . . . . 3.01 111.189 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.15 -28.86 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 3.49 112.071 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.26 -23.59 51.22 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.521 -0.472 . . . . 4.18 110.649 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.413 -1.215 . . . . 4.46 111.844 178.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 102' ' ' LYS . 28.5 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 N-CA-C 111.079 -0.393 . . . . 5.71 111.079 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.05 -21.56 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.387 -0.824 . . . . 5.13 112.371 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.71 -38.27 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 5.19 109.44 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' CB ' ' HG2' ' A' ' 99' ' ' PRO . 66.6 tttt -64.18 0.1 1.05 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.967 -0.56 . . . . 6.63 111.878 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.633 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 62.8 t80 -63.36 -28.46 70.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.157 0.583 . . . . 3.39 110.049 167.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD11 ' HB ' ' A' ' 132' ' ' ILE . 58.6 tp -65.03 -55.4 27.35 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.366 -0.834 . . . . 3.47 111.964 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.86 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7 109.804 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.79 110.966 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.756 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 3.06 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.98 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 2.39 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.08 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.72 111.617 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.877 HD12 HD12 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.63 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.92 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 2.16 109.315 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 1.14 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.73 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 1.05 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 1.26 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 2.29 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 1.38 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 1.13 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.42 110.419 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.6 112.078 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.633 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.53 -41.14 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 2.05 110.229 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 126' ' ' THR . 43.4 mt-10 -58.55 -39.93 81.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 2.25 110.763 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 92.7 mttt -60.88 -43.53 98.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.017 -0.538 . . . . 4.07 111.017 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.592 ' HB ' HD11 ' A' ' 104' ' ' LEU . 9.8 mt -72.18 -44.78 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.279 -0.419 . . . . 3.02 110.744 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 16.0 mm-40 -61.7 -36.11 79.96 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.468 0.544 . . . . 3.49 112.468 -176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -67.25 -31.69 72.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 4.18 110.926 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.078 0 CA-C-O 118.646 -1.085 . . . . 4.46 111.405 -174.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.447 ' HG2' ' CB ' ' B' ' 102' ' ' LYS . 28.1 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 N-CA-C 111.052 -0.403 . . . . 5.71 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.57 -21.12 64.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.398 -0.819 . . . . 5.14 112.209 -169.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.58 -38.38 18.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.575 -0.528 . . . . 5.19 109.575 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.447 ' CB ' ' HG2' ' B' ' 99' ' ' PRO . 67.7 tttt -64.55 -0.06 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.926 -0.579 . . . . 6.63 111.804 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.625 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 63.4 t80 -62.95 -28.56 70.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 123.107 0.563 . . . . 3.38 110.042 167.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.585 HD11 ' HB ' ' B' ' 132' ' ' ILE . 58.4 tp -64.95 -55.48 27.18 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.436 -0.802 . . . . 3.47 111.999 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.766 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.85 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.78 110.959 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.766 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 3.06 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.98 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 2.39 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.08 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.72 111.748 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 1.04 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.63 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.93 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 2.16 109.286 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 1.14 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.73 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 1.05 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.577 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 1.26 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 2.29 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 1.38 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 1.13 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.42 110.257 -177.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.6 112.217 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.625 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.01 110.799 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -41.42 92.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 2.04 110.231 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 126' ' ' THR . 43.6 mt-10 -58.37 -39.83 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 2.25 110.87 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 92.3 mttt -60.99 -43.49 98.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.971 -0.558 . . . . 4.07 111.003 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' B' ' 104' ' ' LEU . 10.0 mt -72.17 -44.53 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.353 -0.385 . . . . 3.01 110.737 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 16.4 mm-40 -61.86 -36.28 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.018 -0.537 . . . . 3.49 112.263 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -67.26 -31.45 71.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.729 0.3 . . . . 4.18 111.057 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.597 -1.113 . . . . 4.46 111.349 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 47.0 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 CA-C-O 121.039 0.35 . . . . 5.71 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.38 -25.29 67.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.653 -0.703 . . . . 5.13 111.392 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -68.87 -38.41 79.69 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.866 0.466 . . . . 5.19 109.968 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.688 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 63.7 tttm -57.31 -9.17 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.815 -0.63 . . . . 6.63 112.303 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.786 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 53.3 t80 -62.3 -29.49 70.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.862 -0.524 . . . . 3.39 110.356 173.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD11 ' HB ' ' A' ' 132' ' ' ILE . 52.0 tp -66.43 -55.37 19.65 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.998 -0.546 . . . . 3.47 112.007 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.699 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.86 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.688 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7 109.953 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 103' ' ' TYR . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.79 111.091 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.699 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 3.06 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.98 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 125' ' ' LEU . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 2.39 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.08 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.72 112.47 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.978 HD12 HD12 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 1.04 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.63 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.92 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.416 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 2.16 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 1.14 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.73 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 1.05 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 1.26 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 2.29 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 1.38 110.776 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 1.13 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.509 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.42 110.496 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.6 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.786 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.452 HD13 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt -63.21 -44.56 99.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 2.05 110.29 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.9 mt-10 -57.9 -38.4 75.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.354 0.597 . . . . 2.25 110.138 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -65.81 -45.03 83.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.096 -0.956 . . . . 4.07 110.96 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.544 ' HB ' HD11 ' A' ' 104' ' ' LEU . 15.0 mt -69.75 -43.9 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.796 0.331 . . . . 3.02 111.35 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.3 -39.96 84.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 3.49 111.418 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.43 -33.09 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.4 . . . . 4.18 110.493 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 119.001 -0.888 . . . . 4.46 111.192 -173.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 46.9 Cg_endo . . . . . 0 N--CA 1.459 -0.541 0 CA-C-O 121.11 0.379 . . . . 5.71 111.759 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.11 -25.55 68.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.553 -0.749 . . . . 5.14 111.399 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.2 -39.11 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.394 . . . . 5.19 110.03 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.698 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 63.7 tttm -56.82 -9.29 0.76 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.757 -0.656 . . . . 6.63 112.496 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.789 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 52.6 t80 -62.2 -29.53 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.896 -0.503 . . . . 3.38 110.474 173.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.561 HD11 ' HB ' ' B' ' 132' ' ' ILE . 52.5 tp -66.49 -55.24 19.78 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.922 -0.581 . . . . 3.47 112.029 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.704 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.85 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' B' ' 103' ' ' TYR . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.78 111.026 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.704 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 3.06 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.98 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 2.39 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.08 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.72 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 1.04 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.63 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.93 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 2.16 109.038 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 1.14 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.73 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 1.05 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 1.26 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 2.29 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 1.38 110.713 -177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.13 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.42 110.466 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.6 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.789 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.01 110.346 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.461 HD13 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt -63.5 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 2.04 110.327 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.9 mt-10 -58.05 -38.36 76.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.326 0.584 . . . . 2.25 110.056 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -65.68 -44.99 84.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.079 -0.964 . . . . 4.07 111.022 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.561 ' HB ' HD11 ' B' ' 104' ' ' LEU . 14.6 mt -69.69 -44.23 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.747 0.308 . . . . 3.01 111.352 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.27 -39.96 84.55 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.111 -0.495 . . . . 3.49 111.377 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -75.04 -33.54 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 4.18 110.411 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.938 -0.924 . . . . 4.46 111.172 -173.302 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.471 -0.242 . . . . 5.71 111.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.02 -48.52 79.81 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.048 0.452 . . . . 5.13 111.21 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.7 -35.61 70.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.016 -0.993 . . . . 5.19 113.006 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 22.5 ttpp -95.85 -19.21 19.76 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.674 -0.411 . . . . 6.63 110.712 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.628 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 64.1 t80 -63.33 -32.49 73.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.877 0.471 . . . . 3.39 111.608 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 132' ' ' ILE . 58.2 tp -65.69 -55.36 23.82 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.47 112.376 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.86 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7 110.296 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 103' ' ' TYR . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.79 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.607 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 3.06 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.98 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' O ' ' HE2' ' A' ' 122' ' ' MET . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 2.39 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.08 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.72 112.631 -173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.924 HD12 HD12 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 1.04 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.63 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.92 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 2.16 109.44 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 1.14 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.73 111.19 -174.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.573 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 1.05 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.559 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 1.26 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 2.29 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 1.38 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.556 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 1.13 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.42 110.234 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.6 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.628 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt -65.26 -41.6 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 2.05 110.534 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 126' ' ' THR . 46.5 mt-10 -59.43 -38.24 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.367 0.603 . . . . 2.25 109.748 175.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 73.1 tttt -62.23 -49.65 74.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.886 -1.052 . . . . 4.07 111.547 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.514 ' HB ' HD11 ' A' ' 104' ' ' LEU . 11.0 mt -68.56 -42.33 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.386 -0.37 . . . . 3.02 110.944 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.78 -23.14 60.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 3.49 112.225 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.39 -37.43 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.699 -0.401 . . . . 4.18 110.621 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.39 -1.228 . . . . 4.46 111.364 -175.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.513 -0.226 . . . . 5.71 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.8 -48.39 79.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.006 0.431 . . . . 5.14 111.324 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.25 -34.96 71.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 5.19 112.959 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 22.5 ttpp -96.03 -19.36 19.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.473 -0.491 . . . . 6.63 110.664 -175.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.626 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 63.6 t80 -63.16 -32.6 74.03 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.883 0.473 . . . . 3.38 111.65 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.512 HD12 ' HB ' ' B' ' 132' ' ' ILE . 58.3 tp -65.8 -55.33 23.41 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.47 112.529 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.599 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.85 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' B' ' 103' ' ' TYR . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.78 111.205 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.599 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 3.06 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.98 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 2.39 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.08 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.72 112.649 -173.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 1.04 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.63 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.93 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 2.16 109.53 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 1.14 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.73 111.087 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.556 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 1.05 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 1.26 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 2.29 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 1.38 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 1.13 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.228 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.6 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.626 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.01 110.97 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.508 HD11 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt -65.09 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 2.04 110.477 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 126' ' ' THR . 46.9 mt-10 -59.28 -38.4 80.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 2.25 109.832 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 72.3 tttt -62.2 -50.06 73.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.873 -1.058 . . . . 4.07 111.524 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.512 ' HB ' HD12 ' B' ' 104' ' ' LEU . 10.5 mt -67.97 -42.39 85.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 3.01 111.123 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.81 -22.82 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 3.49 112.137 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.96 -37.33 22.4 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.568 -0.453 . . . . 4.18 110.81 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.582 -1.121 . . . . 4.46 111.253 -175.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.927 0.303 . . . . 5.71 111.84 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 42.8 mt-10 -59.58 -28.93 67.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.63 -0.714 . . . . 5.13 111.021 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -34.76 75.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.522 -0.763 . . . . 5.19 111.17 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 65.4 mttp -99.65 -23.5 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.094 0.473 . . . . 6.63 111.108 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.577 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 57.8 t80 -61.16 -33.68 73.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.374 0.669 . . . . 3.39 111.364 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.56 HD12 ' HB ' ' A' ' 132' ' ' ILE . 62.4 tp -63.98 -55.98 28.3 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.47 112.347 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.86 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7 110.156 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.79 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.605 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 3.06 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.98 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 2.39 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.08 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.72 111.339 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.967 HD13 HD13 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 1.04 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.63 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.92 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 2.16 109.317 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 1.14 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.73 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 1.05 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 1.26 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 2.29 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 1.38 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 1.13 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.42 110.393 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.6 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.524 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.33 -41.77 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 2.05 110.07 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 126' ' ' THR . 44.8 mt-10 -57.37 -39.64 76.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.095 0.474 . . . . 2.25 110.521 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.0 mtpt -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.571 -0.741 . . . . 4.07 111.226 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.56 ' HB ' HD12 ' A' ' 104' ' ' LEU . 12.6 mt -70.68 -41.74 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 3.02 111.055 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 13.9 mm-40 -64.92 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 3.49 111.677 -178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 6.3 ptpp? -74.94 -27.39 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.702 -0.399 . . . . 4.18 110.765 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.392 -1.226 . . . . 4.46 112.26 179.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 N--CA 1.46 -0.444 0 CA-C-O 121.082 0.367 . . . . 5.71 111.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 42.2 mt-10 -59.46 -28.96 67.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 5.14 111.088 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -34.31 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 5.19 111.235 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 65.4 mttp -99.69 -23.78 14.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.001 0.429 . . . . 6.63 110.984 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.586 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 57.9 t80 -61.08 -33.56 73.53 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.274 0.63 . . . . 3.38 111.388 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' B' ' 132' ' ' ILE . 61.7 tp -64.18 -55.9 28.0 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.47 112.252 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.614 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.85 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.78 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.614 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 3.06 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.98 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 2.39 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.72 111.291 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.967 HD13 HD13 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 1.04 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.63 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.93 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 2.16 109.321 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 1.14 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.73 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 1.05 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.566 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 1.26 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 2.29 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 1.38 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 1.13 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.42 110.433 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.6 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.521 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.01 110.459 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.39 -41.79 92.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 2.04 110.265 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 126' ' ' THR . 44.5 mt-10 -57.3 -39.76 76.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.101 -0.499 . . . . 2.25 110.52 177.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 47.8 mtpt -65.37 -44.6 87.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 4.07 111.332 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.577 ' HB ' HD12 ' B' ' 104' ' ' LEU . 12.8 mt -70.65 -42.09 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 3.01 110.816 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 14.2 mm-40 -64.63 -38.0 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 3.49 111.583 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -74.96 -27.08 60.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.804 -0.358 . . . . 4.18 110.853 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.593 -1.115 . . . . 4.46 112.192 179.348 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.565 ' HG2' ' CG ' ' A' ' 102' ' ' LYS . 39.6 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.407 0.503 . . . . 5.71 111.746 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.595 ' HG2' HG22 ' A' ' 132' ' ' ILE . 35.7 tt0 -59.0 -31.98 69.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.179 . . . . 5.13 111.691 -173.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.411 HD21 ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -60.9 -36.23 78.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 5.19 111.372 -178.037 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.565 ' CG ' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -102.09 -17.83 15.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 6.63 110.521 -177.705 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.73 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 59.5 t80 -62.65 -31.46 72.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.705 -0.679 . . . . 3.39 110.991 175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 132' ' ' ILE . 65.7 tp -64.62 -55.92 25.84 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.47 112.467 -177.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.615 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.86 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7 110.185 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' A' ' 103' ' ' TYR . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.79 110.806 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.615 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 3.06 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.98 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HE2' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 2.39 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.08 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.41 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.72 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.914 HD12 HD12 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 1.04 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.63 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.92 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 2.16 109.299 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 1.14 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.73 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 1.05 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.572 ' HE2' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 1.26 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 2.29 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 1.38 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB1' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 1.13 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.42 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.6 111.957 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.73 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 104' ' ' LEU . 94.7 mt -62.24 -39.73 85.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 2.05 110.079 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 42.6 mt-10 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 2.25 110.823 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.571 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -57.45 -48.76 78.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.047 0.451 . . . . 4.07 110.83 179.083 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.595 HG22 ' HG2' ' A' ' 100' ' ' GLU . 8.4 mt -68.12 -40.66 83.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.816 -0.629 . . . . 3.02 110.96 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 17.1 mm-40 -67.89 -39.38 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.49 111.288 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -74.11 -32.09 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.547 -0.297 . . . . 4.18 111.097 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.602 -1.11 . . . . 4.46 111.953 179.445 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.568 ' HG2' ' CG ' ' B' ' 102' ' ' LYS . 40.3 Cg_endo . . . . . 0 N--CA 1.459 -0.539 0 CA-C-O 121.49 0.538 . . . . 5.71 111.635 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.609 ' HG2' HG22 ' B' ' 132' ' ' ILE . 35.5 tt0 -58.91 -32.01 69.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.209 . . . . 5.14 111.68 -173.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -36.14 78.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.112 -0.495 . . . . 5.19 111.263 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.568 ' CG ' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -102.31 -17.96 15.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.184 0.516 . . . . 6.63 110.556 -177.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.746 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 59.5 t80 -62.64 -31.44 72.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.714 -0.676 . . . . 3.38 110.972 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' B' ' 132' ' ' ILE . 65.2 tp -64.6 -56.06 24.97 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.47 112.322 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.85 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.441 HD12 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.78 110.872 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.606 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 3.06 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.98 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HE2' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 2.39 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.08 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.72 112.566 -173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.914 HD12 HD12 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 1.04 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.63 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.93 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 2.16 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 1.14 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.73 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 1.05 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.557 ' HE2' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 1.26 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 2.29 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 1.38 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 1.13 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.42 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.6 111.978 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.746 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.01 110.912 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.412 HG23 HD13 ' B' ' 104' ' ' LEU . 95.6 mt -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 2.04 110.126 176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 127' ' ' ALA . 42.9 mt-10 -57.26 -42.57 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 2.25 110.819 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.575 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 0.4 OUTLIER -57.31 -48.65 78.41 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.118 0.485 . . . . 4.07 110.913 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.609 HG22 ' HG2' ' B' ' 100' ' ' GLU . 8.4 mt -68.33 -40.96 83.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 3.01 110.953 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 16.6 mm-40 -67.3 -39.71 85.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 3.49 111.483 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -73.75 -31.32 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.504 -0.317 . . . . 4.18 111.257 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.316 -1.269 . . . . 4.46 111.898 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 42.7 Cg_endo . . . . . 0 C--O 1.237 0.451 0 CA-C-O 121.268 0.445 . . . . 5.71 111.814 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.714 ' HB3' HG21 ' A' ' 132' ' ' ILE . 12.3 mm-40 -59.03 -26.08 64.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.939 -1.028 . . . . 5.13 111.991 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -35.17 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 5.19 111.386 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 4.6 mptp? -91.42 -34.09 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.198 0.523 . . . . 6.63 110.38 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.565 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 44.8 t80 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.767 0.827 . . . . 3.39 112.091 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 129' ' ' ILE . 59.5 tp -64.62 -54.43 36.74 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.47 112.472 -175.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.86 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7 110.178 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.79 111.124 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 3.06 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.98 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 2.39 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.08 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.72 112.334 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 1.04 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.63 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.92 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 2.16 109.458 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 1.14 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.73 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 1.05 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.551 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 1.26 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 2.29 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 1.38 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.542 HD13 ' HB1' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 1.13 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.42 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.6 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 132' ' ' ILE . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 104' ' ' LEU . 95.6 mt -61.6 -40.52 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 2.05 110.067 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.765 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.4 mt-10 -57.56 -43.55 84.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.843 -0.617 . . . . 2.25 110.366 175.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.57 -49.19 77.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.125 0.488 . . . . 4.07 110.649 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 100' ' ' GLU . 9.7 mt -65.66 -44.67 93.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.555 -0.748 . . . . 3.02 110.854 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.89 -22.54 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.702 0.63 . . . . 3.49 112.702 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.765 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 62.6 mttm -73.71 -30.79 63.06 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.04 0.448 . . . . 4.18 110.676 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.215 0 CA-C-O 118.566 -1.13 . . . . 4.46 112.413 -172.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.481 ' HG2' ' HD3' ' B' ' 102' ' ' LYS . 42.9 Cg_endo . . . . . 0 N--CA 1.462 -0.339 0 CA-C-O 121.275 0.448 . . . . 5.71 111.733 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.714 ' HB3' HG21 ' B' ' 132' ' ' ILE . 12.0 mm-40 -59.01 -26.08 64.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.859 -1.064 . . . . 5.14 111.947 -174.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -35.04 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 5.19 111.48 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 4.6 mptp? -91.57 -33.69 15.04 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.364 0.602 . . . . 6.63 110.57 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.559 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 46.2 t80 -60.57 -36.1 77.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 3.38 111.965 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.551 HD13 HG21 ' B' ' 129' ' ' ILE . 59.4 tp -64.58 -54.4 37.18 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.47 112.559 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.85 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.78 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 3.06 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.98 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 2.39 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.08 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.72 112.503 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 1.04 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.63 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.93 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 2.16 109.514 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 1.14 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.73 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.542 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 1.05 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.552 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 1.26 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 2.29 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 1.38 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.13 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.42 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.6 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.417 ' O ' HG13 ' B' ' 132' ' ' ILE . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.01 110.549 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.551 HG21 HD13 ' B' ' 104' ' ' LEU . 95.4 mt -61.63 -40.22 85.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 2.04 110.182 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.769 ' HB3' ' HE2' ' B' ' 134' ' ' LYS . 37.3 mt-10 -57.88 -43.55 86.11 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.756 -0.656 . . . . 2.25 110.393 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.58 -49.18 77.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.952 0.406 . . . . 4.07 110.575 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' B' ' 100' ' ' GLU . 9.3 mt -65.63 -44.53 93.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.392 -0.822 . . . . 3.01 110.854 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.72 -23.07 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 3.49 112.649 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.769 ' HE2' ' HB3' ' B' ' 130' ' ' GLU . 63.0 mttm -73.34 -31.43 63.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.111 0.481 . . . . 4.18 110.602 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.32 0 CA-C-O 118.579 -1.123 . . . . 4.46 112.341 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.585 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 98.6 Cg_endo . . . . . 0 CA--C 1.519 -0.263 0 CA-C-O 121.247 0.436 . . . . 5.71 111.089 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -41.72 85.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.939 -1.028 . . . . 5.13 111.771 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.66 -32.76 74.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.846 -0.615 . . . . 5.19 111.831 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -90.53 -30.23 17.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.907 0.384 . . . . 6.63 111.41 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.527 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 45.5 t80 -60.64 -35.92 77.38 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.443 0.697 . . . . 3.39 112.23 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD12 ' HB ' ' A' ' 132' ' ' ILE . 64.6 tp -64.17 -55.97 27.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.47 112.315 -175.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.86 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7 110.408 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.45 HD12 ' CE1' ' A' ' 103' ' ' TYR . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.79 111.184 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.488 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 3.06 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.98 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 2.39 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.08 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.72 111.156 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.938 HD12 HD12 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 1.04 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.63 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.92 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 2.16 109.771 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 1.14 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.73 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 1.05 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 1.26 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 2.29 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 1.38 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 1.13 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.42 110.238 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.6 112.111 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.527 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 104' ' ' LEU . 93.0 mt -64.81 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 2.05 110.526 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 126' ' ' THR . 59.8 mt-10 -58.32 -40.62 82.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 2.25 110.31 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 134' ' ' LYS . 65.4 mttm -62.89 -47.09 84.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 4.07 111.118 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.567 ' HB ' HD12 ' A' ' 104' ' ' LEU . 9.8 mt -67.95 -42.19 85.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 3.02 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 3.49 112.086 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 131' ' ' LYS . 21.0 pttp -81.48 -34.36 31.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.96 0.409 . . . . 4.18 110.5 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.466 -1.186 . . . . 4.46 111.245 -175.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.569 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 94.7 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.025 -0.414 . . . . 5.71 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.66 -41.7 86.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.024 -0.989 . . . . 5.14 111.804 -171.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.69 -32.7 74.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.748 -0.66 . . . . 5.19 111.82 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.569 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -90.19 -30.57 17.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.86 0.362 . . . . 6.63 111.49 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.523 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 45.8 t80 -60.68 -36.15 78.05 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.396 0.678 . . . . 3.38 112.186 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.564 HD12 ' HB ' ' B' ' 132' ' ' ILE . 65.1 tp -63.81 -55.91 29.57 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.47 112.469 -175.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.85 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' B' ' 103' ' ' TYR . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.78 111.24 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 3.06 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.98 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 2.39 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.08 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.72 111.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.938 HD12 HD12 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 1.04 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.63 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.93 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 2.16 109.801 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 1.14 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.73 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 1.05 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.568 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 1.26 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.29 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 1.38 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 1.13 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.573 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.42 110.194 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.6 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.523 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.01 110.583 -178.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.461 HG23 HD13 ' B' ' 104' ' ' LEU . 94.1 mt -64.82 -40.87 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 2.04 110.579 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' B' ' 126' ' ' THR . 61.3 mt-10 -57.92 -40.89 81.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.065 -0.516 . . . . 2.25 110.247 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.454 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 65.0 mttm -62.61 -47.5 83.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.626 -0.715 . . . . 4.07 111.194 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.564 ' HB ' HD12 ' B' ' 104' ' ' LEU . 10.0 mt -67.59 -42.32 86.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.841 0.353 . . . . 3.01 111.111 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -71.03 -29.58 65.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 3.49 112.15 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' B' ' 131' ' ' LYS . 20.9 pttp -82.23 -34.02 29.05 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.678 -0.409 . . . . 4.18 110.624 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.54 -1.144 . . . . 4.46 111.128 -175.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.036 -0.409 . . . . 5.71 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.7 mt-10 -59.12 -28.45 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.774 -0.648 . . . . 5.13 111.084 -176.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.71 -35.15 77.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.733 -0.667 . . . . 5.19 111.674 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 9.2 ttpp -95.27 -29.73 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 6.63 110.795 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 60.4 t80 -62.19 -31.94 72.52 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.16 0.584 . . . . 3.39 111.77 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD11 ' HB ' ' A' ' 132' ' ' ILE . 57.3 tp -65.59 -55.18 25.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.47 111.977 -177.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.657 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.86 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7 109.505 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.79 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.657 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 3.06 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.98 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.562 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 2.39 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.08 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.72 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 HD12 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 1.04 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.463 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.63 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.92 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 2.16 108.746 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 1.14 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.73 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 1.05 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.573 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 1.26 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 2.29 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 1.38 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB1' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 1.13 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.42 110.317 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.6 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.51 -41.21 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 2.05 110.218 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.797 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 32.2 mt-10 -57.96 -43.26 86.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.986 -0.552 . . . . 2.25 110.015 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -58.12 -47.2 84.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.781 0.324 . . . . 4.07 110.925 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.516 ' HB ' HD11 ' A' ' 104' ' ' LEU . 10.3 mt -68.68 -41.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.98 -0.554 . . . . 3.02 110.86 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.28 -25.32 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.438 0.533 . . . . 3.49 112.438 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.797 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 72.3 mmtt -69.24 -39.06 78.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.412 0.625 . . . . 4.18 110.413 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.361 0 CA-C-O 118.804 -0.998 . . . . 4.46 112.499 -172.119 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.457 -0.629 0 N-CA-C 110.915 -0.456 . . . . 5.71 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 44.8 mt-10 -59.42 -27.84 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 5.14 111.16 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.46 -34.84 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 5.19 111.613 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.604 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.1 ttpp -95.61 -29.88 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 6.63 110.754 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.532 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 60.4 t80 -61.74 -32.3 72.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.256 0.622 . . . . 3.38 111.832 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' B' ' 132' ' ' ILE . 56.5 tp -65.35 -54.99 27.99 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.47 112.008 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.641 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.85 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.78 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 3.06 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.98 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 2.39 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.08 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.72 111.418 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 1.004 HD12 HD12 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 1.04 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.461 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.63 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.93 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 2.16 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 1.14 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.562 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.73 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 1.05 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 1.26 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.414 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 2.29 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 1.38 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 1.13 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.42 110.434 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.6 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.532 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.01 110.419 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.44 -41.31 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 2.04 110.131 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.788 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 33.3 mt-10 -57.87 -43.49 86.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.077 -0.51 . . . . 2.25 109.892 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -57.97 -46.9 84.42 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.945 0.402 . . . . 4.07 111.114 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.526 ' HB ' HD11 ' B' ' 104' ' ' LEU . 10.0 mt -68.79 -41.56 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.981 -0.554 . . . . 3.01 110.796 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.486 0.55 . . . . 3.49 112.486 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.788 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 72.1 mmtt -68.87 -39.47 79.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.185 0.517 . . . . 4.18 110.482 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.554 0 CA-C-O 118.648 -1.084 . . . . 4.46 112.394 -171.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.559 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.189 0.412 . . . . 5.71 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -34.27 76.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.155 -0.929 . . . . 5.13 112.952 -163.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -86.28 -44.42 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.249 -0.282 . . . . 5.19 110.422 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 14.3 mptt -56.32 -10.5 0.92 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.575 0.583 . . . . 6.63 112.575 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.493 ' CE2' HD13 ' A' ' 107' ' ' LEU . 71.1 t80 -60.11 -32.73 71.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.924 0.392 . . . . 3.39 110.466 170.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD12 HG22 ' A' ' 129' ' ' ILE . 53.7 tp -66.67 -54.08 24.82 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.946 -0.57 . . . . 3.47 112.22 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.708 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.86 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 103' ' ' TYR . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.79 110.984 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.708 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 3.06 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.98 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 2.39 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.08 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.72 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 1.04 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.63 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.92 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.588 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 2.16 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 1.14 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.73 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.544 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 1.05 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 1.26 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 2.29 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 1.38 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB1' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 1.13 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.42 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.6 112.414 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 132' ' ' ILE . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 104' ' ' LEU . 92.8 mt -62.2 -40.19 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 2.05 110.028 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.739 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 50.9 mt-10 -56.44 -45.56 80.73 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.527 -0.76 . . . . 2.25 110.065 176.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.06 -46.35 89.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.61 0.243 . . . . 4.07 110.941 -175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.518 ' HB ' HD11 ' A' ' 104' ' ' LEU . 13.8 mt -65.99 -42.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 3.02 110.813 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -74.58 -42.32 58.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 3.49 111.993 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.739 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.3 ptpt -77.07 -39.42 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.275 -0.17 . . . . 4.18 111.393 -174.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.972 0 CA-C-O 118.78 -1.011 . . . . 4.46 111.685 -177.009 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.573 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 121.24 0.433 . . . . 5.71 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.1 -34.08 75.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.06 -0.973 . . . . 5.14 112.987 -164.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -86.52 -44.27 12.08 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 122.189 -0.32 . . . . 5.19 110.377 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.573 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 14.3 mptt -56.36 -10.81 1.0 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.424 0.528 . . . . 6.63 112.424 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.485 ' CE2' HD13 ' B' ' 107' ' ' LEU . 71.2 t80 -59.96 -32.81 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.888 0.375 . . . . 3.38 110.418 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.552 HD12 HG22 ' B' ' 129' ' ' ILE . 54.2 tp -66.52 -54.11 25.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.933 -0.576 . . . . 3.47 112.306 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.718 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.85 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' B' ' 103' ' ' TYR . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.78 111.21 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.718 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 3.06 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.98 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.08 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.72 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.737 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.63 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.93 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 2.16 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 1.14 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.73 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 1.05 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.737 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 1.26 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 2.29 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 1.38 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 1.13 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.42 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.6 112.325 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.424 ' O ' HG13 ' B' ' 132' ' ' ILE . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.01 110.854 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.552 HG22 HD12 ' B' ' 104' ' ' LEU . 93.4 mt -62.59 -40.28 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 2.04 109.872 176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.762 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 51.4 mt-10 -56.2 -45.73 79.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.594 -0.73 . . . . 2.25 110.169 176.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -60.23 -45.77 92.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.745 0.307 . . . . 4.07 110.925 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.515 ' HB ' HD11 ' B' ' 104' ' ' LEU . 13.9 mt -66.36 -42.65 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.143 0.497 . . . . 3.01 110.74 -178.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.47 -42.51 58.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.767 -0.651 . . . . 3.49 111.839 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.762 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.3 ptpt -76.88 -39.66 50.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.573 0.225 . . . . 4.18 111.483 -174.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.724 0 CA-C-O 118.842 -0.977 . . . . 4.46 111.842 -176.877 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 109.819 -0.877 . . . . 5.71 109.819 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.36 -33.12 75.1 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.895 0.702 . . . . 5.13 112.895 -165.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -89.73 -47.59 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.33 0.586 . . . . 5.19 110.438 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 42.8 mtmt -73.02 13.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 6.63 112.991 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.681 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 49.5 t80 -64.76 -27.66 69.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.794 0.807 . . . . 3.39 108.989 161.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 132' ' ' ILE . 48.9 tp -65.42 -54.86 28.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 114.508 -1.223 . . . . 3.47 112.608 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.611 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.86 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.44 HD12 ' CE2' ' A' ' 103' ' ' TYR . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.79 110.814 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.06 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.98 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 2.39 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.72 111.44 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 1.04 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.63 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.92 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 2.16 109.078 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 1.14 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.73 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 1.05 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.58 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 1.26 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 2.29 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 1.38 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 1.13 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.42 110.418 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.6 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.681 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.76 -43.08 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 2.05 110.754 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -59.9 -38.02 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.529 0.681 . . . . 2.25 109.757 176.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 74.5 tttt -60.78 -47.05 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.71 -1.132 . . . . 4.07 111.677 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.547 ' HB ' HD11 ' A' ' 104' ' ' LEU . 11.0 mt -72.55 -43.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.832 0.348 . . . . 3.02 111.342 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.03 -22.86 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.951 0.723 . . . . 3.49 112.951 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 131' ' ' LYS . 21.5 pttp -72.31 -28.33 63.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.758 -0.377 . . . . 4.18 110.549 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.542 -1.143 . . . . 4.46 111.354 -175.534 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 41.8 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 109.863 -0.86 . . . . 5.71 109.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.27 -32.91 74.69 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.977 0.732 . . . . 5.14 112.977 -165.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.96 -47.7 7.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.22 0.533 . . . . 5.19 110.461 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.536 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 42.9 mtmt -73.16 13.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.509 -0.769 . . . . 6.63 112.944 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.702 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 50.4 t80 -64.67 -27.81 69.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.739 0.78 . . . . 3.38 109.017 161.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' B' ' 132' ' ' ILE . 46.7 tp -65.21 -55.09 28.2 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 114.558 -1.201 . . . . 3.47 112.622 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.62 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.85 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.438 HD12 ' CE2' ' B' ' 103' ' ' TYR . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.78 110.693 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 3.06 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.98 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 2.39 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.08 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.72 111.422 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.901 HD12 HD12 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 1.04 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.63 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.93 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 2.16 109.044 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 1.14 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.73 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 1.05 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.576 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 1.26 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 2.29 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 1.38 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 1.13 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.498 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.42 110.509 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.6 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.702 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.01 110.326 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.68 -42.99 93.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 2.04 110.813 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -60.05 -38.16 81.98 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-O 121.521 0.677 . . . . 2.25 109.794 176.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.3 tttt -60.66 -47.02 88.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.692 -1.14 . . . . 4.07 111.466 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.527 ' HB ' HD11 ' B' ' 104' ' ' LEU . 10.8 mt -72.34 -44.14 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.874 0.369 . . . . 3.01 111.393 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -72.6 -23.13 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.754 0.65 . . . . 3.49 112.754 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 21.5 pttp -71.91 -28.58 63.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 4.18 110.707 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.433 -1.204 . . . . 4.46 111.391 -175.641 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 57.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.698 0.208 . . . . 5.71 111.777 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.3 mt-10 -61.31 -30.16 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 5.13 112.163 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.97 -35.09 79.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.853 0.359 . . . . 5.19 111.122 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.659 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 60.8 tttm -86.56 -38.37 17.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.424 0.631 . . . . 6.63 110.812 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.876 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 48.7 t80 -59.46 -37.07 77.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.887 -1.051 . . . . 3.39 112.271 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' A' ' 132' ' ' ILE . 55.0 tp -63.52 -55.3 36.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.47 112.634 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.86 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7 110.085 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.79 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 3.06 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.98 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' O ' ' HE2' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 2.39 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.08 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.72 112.714 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.923 HD12 HD12 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 1.04 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.63 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.92 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 2.16 109.109 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 1.14 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.73 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 1.05 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 1.26 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 2.29 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 1.38 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.541 HD12 ' HB1' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 1.13 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.42 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.6 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.876 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' LEU . 86.3 mt -64.94 -40.95 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 2.05 110.37 177.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 43.4 mt-10 -57.78 -42.09 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 2.25 110.232 176.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.454 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 23.0 tttm -58.69 -49.75 76.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 4.07 111.744 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.557 ' HB ' HD12 ' A' ' 104' ' ' LEU . 5.7 mt -71.9 -38.02 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.319 . . . . 3.02 111.409 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.29 -22.55 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.287 . . . . 3.49 111.651 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 47.3 mtmt -63.93 -41.45 97.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.905 0.383 . . . . 4.18 111.729 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.367 0 C-N-CA 119.949 -1.12 . . . . 4.46 112.47 -171.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.476 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 56.9 Cg_endo . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.712 0.214 . . . . 5.71 111.753 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.686 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 45.3 mt-10 -61.23 -30.18 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.56 . . . . 5.14 112.235 -174.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.71 -35.16 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.882 0.372 . . . . 5.19 111.32 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 60.7 tttm -86.68 -38.24 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.674 . . . . 6.63 110.762 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.855 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 48.8 t80 -59.36 -37.33 77.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.946 -1.024 . . . . 3.38 112.267 -176.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' B' ' 132' ' ' ILE . 55.5 tp -63.63 -55.24 36.01 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.47 112.648 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.85 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.78 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 3.06 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.98 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.538 ' O ' ' HE2' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 2.39 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.08 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.72 112.722 -174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.923 HD12 HD12 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 1.04 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.63 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.93 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 2.16 109.178 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 1.14 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.73 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 1.05 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.543 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 1.26 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 2.29 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 1.38 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 1.13 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.42 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.6 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.855 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.01 110.609 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt -65.09 -41.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 2.04 110.324 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 43.3 mt-10 -57.41 -42.15 81.73 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.297 -0.411 . . . . 2.25 110.347 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.459 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 23.2 tttm -58.88 -49.29 78.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.788 -0.642 . . . . 4.07 111.893 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' B' ' 104' ' ' LEU . 5.9 mt -72.41 -37.93 59.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 121.063 -0.255 . . . . 3.01 111.333 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.92 -23.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 3.49 111.593 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 47.4 mtmt -63.52 -41.47 98.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.924 0.392 . . . . 4.18 111.75 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.278 0 C-N-CA 119.924 -1.132 . . . . 4.46 112.554 -171.487 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.235 0.362 0 CA-C-O 121.242 0.434 . . . . 5.71 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.67 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -59.75 -28.31 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 5.13 111.928 -178.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.2 -33.21 73.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 5.19 111.688 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.62 -24.51 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.353 0.596 . . . . 6.63 110.984 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.926 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 59.1 t80 -62.73 -30.89 71.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.495 -0.775 . . . . 3.39 111.61 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 132' ' ' ILE . 59.1 tp -65.89 -54.72 26.3 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.47 112.178 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.59 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.86 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 103' ' ' TYR . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.79 111.181 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.59 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 3.06 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.98 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 2.39 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.08 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.72 111.965 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 1.04 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.63 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.92 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 115' ' ' ASP . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 2.16 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 1.14 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.463 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.73 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 1.05 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 1.26 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 2.29 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 1.38 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 1.13 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.6 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.926 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.38 -42.31 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 2.05 110.216 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.551 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 45.4 mt-10 -57.4 -42.19 81.78 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.755 -0.657 . . . . 2.25 109.922 174.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.62 -44.45 93.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.428 -0.806 . . . . 4.07 111.676 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.549 ' HB ' HD12 ' A' ' 104' ' ' LEU . 8.6 mt -72.24 -39.95 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.83 0.348 . . . . 3.02 110.984 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.82 -33.87 64.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.22 0.452 . . . . 3.49 112.22 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.0 ptpt -83.66 -10.54 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 4.18 111.355 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.686 -1.063 . . . . 4.46 112.268 178.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 121.251 0.438 . . . . 5.71 112.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.687 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -60.41 -28.26 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.97 -1.014 . . . . 5.14 111.92 -178.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' B' ' 101' ' ' ASN . 2.5 t-20 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.702 -0.681 . . . . 5.19 111.821 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.47 -24.33 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 6.63 111.084 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.925 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 59.1 t80 -63.01 -31.13 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.78 . . . . 3.38 111.497 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 132' ' ' ILE . 59.1 tp -65.83 -54.52 28.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.47 112.346 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.85 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' B' ' 103' ' ' TYR . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.78 111.234 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.596 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 3.06 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.98 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 2.39 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.08 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.72 111.9 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.91 HD12 HD12 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 1.04 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.63 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.93 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 2.16 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.73 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 1.05 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.556 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 1.26 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 2.29 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 1.38 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 1.13 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.42 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.6 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.925 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.01 110.801 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.63 -42.18 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 2.04 110.118 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.541 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 45.6 mt-10 -57.41 -42.16 81.74 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.812 -0.631 . . . . 2.25 110.014 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -63.61 -44.64 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.406 -0.815 . . . . 4.07 111.656 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 128' ' ' GLU . 8.5 mt -71.95 -40.34 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 3.01 110.993 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.33 -34.57 65.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 3.49 112.097 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.541 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.0 ptpt -83.16 -10.88 58.38 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 121.056 -0.257 . . . . 4.18 111.476 -175.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.536 -1.147 . . . . 4.46 111.994 179.075 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.458 -0.579 0 N-CA-C 111.122 -0.376 . . . . 5.71 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.608 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 2.9 mp0 -58.32 -27.41 64.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.397 -0.819 . . . . 5.13 111.439 -174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -59.25 -37.79 78.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 5.19 111.449 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 94.1 mttt -103.37 -25.01 13.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 6.63 111.195 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.782 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 53.2 t80 -63.59 -29.55 70.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.675 -0.693 . . . . 3.39 111.036 174.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.568 HD11 ' HB ' ' A' ' 132' ' ' ILE . 59.8 tp -65.19 -55.38 26.56 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.47 112.643 -177.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.86 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7 110.165 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.457 HD12 ' CE1' ' A' ' 103' ' ' TYR . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.79 110.992 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 3.06 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.98 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HA ' HD12 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 2.39 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.08 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.72 111.1 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.89 HD12 HD12 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 1.04 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.63 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.92 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 2.16 109.265 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 1.14 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.73 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 1.05 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.564 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 1.26 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 2.29 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 1.38 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 1.13 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.42 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.6 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.782 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 104' ' ' LEU . 95.4 mt -64.06 -41.37 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 2.05 110.224 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.727 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 51.3 mt-10 -58.48 -40.99 84.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 2.25 110.443 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.97 -45.84 90.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.07 111.439 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.568 ' HB ' HD11 ' A' ' 104' ' ' LEU . 14.2 mt -69.83 -41.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 3.02 111.056 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -66.23 -22.4 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.013 -0.539 . . . . 3.49 111.734 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.727 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 67.7 mttm -64.51 -32.44 74.08 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.831 0.348 . . . . 4.18 111.204 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 118.867 -0.963 . . . . 4.46 112.993 -170.467 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 CA-C-O 121.012 0.338 . . . . 5.71 111.243 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 2.6 mp0 -58.19 -27.37 63.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.412 -0.813 . . . . 5.14 111.406 -174.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.54 -37.5 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.005 -0.543 . . . . 5.19 111.331 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 93.7 mttt -103.52 -24.98 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.144 0.497 . . . . 6.63 111.27 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.776 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 52.6 t80 -63.7 -29.5 70.72 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.649 -0.705 . . . . 3.38 110.999 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.569 HD12 ' HB ' ' B' ' 132' ' ' ILE . 59.7 tp -65.09 -55.67 25.27 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.47 112.414 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.85 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' B' ' 103' ' ' TYR . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.78 110.886 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 3.06 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.98 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HA ' HD12 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 2.39 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.08 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.72 111.241 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 1.04 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.63 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.93 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 2.16 109.328 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 1.14 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.73 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 1.05 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 1.26 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 2.29 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 1.38 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 1.13 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.42 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.6 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.776 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.01 110.635 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.492 HG23 HD13 ' B' ' 104' ' ' LEU . 95.4 mt -64.07 -41.54 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 2.04 110.165 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.723 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 51.5 mt-10 -58.32 -41.08 83.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.761 -0.654 . . . . 2.25 110.328 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.25 -45.5 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 4.07 111.357 -177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.569 ' HB ' HD12 ' B' ' 104' ' ' LEU . 14.5 mt -70.26 -40.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.457 -0.338 . . . . 3.01 111.075 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 3.49 111.76 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 67.8 mttm -64.45 -32.13 73.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.824 0.345 . . . . 4.18 111.484 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.746 -1.03 . . . . 4.46 112.8 -171.183 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 N-CA-C 111.27 -0.319 . . . . 5.71 111.27 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.773 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 30.0 mt-10 -63.19 -18.78 63.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.982 -0.554 . . . . 5.13 111.068 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.6 -37.69 73.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 5.19 111.171 173.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -105.42 -19.27 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 6.63 111.467 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.846 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 60.9 t80 -64.56 -29.32 70.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.118 0.567 . . . . 3.39 110.528 173.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD12 ' HB ' ' A' ' 132' ' ' ILE . 66.7 tp -63.52 -55.31 36.01 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.321 -0.4 . . . . 3.47 111.992 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.86 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 103' ' ' TYR . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.79 111.141 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.664 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 3.06 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.98 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.525 ' O ' ' HE2' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 2.39 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.08 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.72 112.32 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.883 HD12 HD12 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 1.04 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.63 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.92 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 2.16 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 1.14 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.73 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 1.05 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.543 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 1.26 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 2.29 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 1.38 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.542 HD12 ' HB1' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 1.13 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.455 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.42 110.54 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.6 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.846 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 125' ' ' LEU . 93.5 mt -64.56 -41.59 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 2.05 110.285 177.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.6 mt-10 -57.51 -40.57 79.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 2.25 110.318 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -65.57 -44.22 87.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.657 . . . . 4.07 111.377 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.571 ' HB ' HD12 ' A' ' 104' ' ' LEU . 14.4 mt -68.77 -41.69 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.929 0.395 . . . . 3.02 110.838 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 16.0 mm-40 -63.51 -40.96 98.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 3.49 111.499 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.9 ptmm? -74.32 -39.78 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 4.18 110.781 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.55 -1.139 . . . . 4.46 111.723 -176.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.46 -0.468 0 N-CA-C 111.335 -0.294 . . . . 5.71 111.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.805 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 30.7 mt-10 -63.25 -18.49 63.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.553 . . . . 5.14 111.19 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.83 -37.22 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.505 -0.77 . . . . 5.19 111.073 173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.79 -19.37 13.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 6.63 111.61 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.843 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 61.2 t80 -64.14 -29.49 70.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 3.38 110.653 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 132' ' ' ILE . 66.7 tp -63.36 -55.54 34.82 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.327 -0.397 . . . . 3.47 112.017 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.682 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.85 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' B' ' 103' ' ' TYR . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.78 111.017 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.682 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 3.06 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.98 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.525 ' O ' ' HE2' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 2.39 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.08 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.72 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 1.04 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.63 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.93 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 2.16 109.138 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 1.14 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.73 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 1.05 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.539 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 1.26 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 2.29 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 1.38 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 1.13 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.42 110.546 -176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.6 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.843 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.01 110.559 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 125' ' ' LEU . 92.4 mt -64.72 -41.63 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 2.04 110.351 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.0 mt-10 -57.35 -40.65 78.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 2.25 110.274 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.68 -44.16 87.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.827 -0.624 . . . . 4.07 111.296 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.58 ' HB ' HD12 ' B' ' 104' ' ' LEU . 14.2 mt -68.81 -41.2 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 3.01 110.936 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 15.6 mm-40 -64.0 -41.0 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 3.49 111.617 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.9 ptmm? -74.13 -39.88 63.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 4.18 110.837 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.414 -1.214 . . . . 4.46 111.467 -176.523 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.94 0.308 . . . . 5.71 111.94 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -58.0 -36.26 72.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.315 -0.857 . . . . 5.13 112.535 -169.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.93 -39.98 79.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 5.19 111.968 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 13.5 mptt -95.14 -26.7 15.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.54 0.686 . . . . 6.63 110.101 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.617 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 56.4 t80 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.295 1.038 . . . . 3.39 111.31 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 132' ' ' ILE . 55.3 tp -63.28 -57.01 22.46 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.659 0.383 . . . . 3.47 111.976 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.86 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.79 110.463 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 3.06 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.98 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 125' ' ' LEU . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 2.39 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.08 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.72 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.888 HD12 HD12 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 1.04 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.63 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.92 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 2.16 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 1.14 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.73 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.555 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 1.05 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.562 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 1.26 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 2.29 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 1.38 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.56 HD13 ' HB1' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 1.13 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.478 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.42 110.388 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.6 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.56 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.499 HD11 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt -65.99 -40.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 2.05 110.171 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 45.0 mt-10 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.34 176.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.77 -44.79 84.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 4.07 111.427 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 128' ' ' GLU . 14.0 mt -67.41 -40.12 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 3.02 110.716 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -74.42 -23.14 58.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.663 -0.699 . . . . 3.49 111.916 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.598 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 57.5 mttp -72.02 -40.87 68.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.047 0.451 . . . . 4.18 111.509 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.228 0 CA-C-O 118.553 -1.137 . . . . 4.46 112.825 -171.873 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.273 . . . . 5.71 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.604 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -58.2 -36.31 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 5.14 112.405 -169.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -57.69 -40.32 79.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 5.19 111.894 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 13.6 mptt -94.94 -26.85 15.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.638 0.732 . . . . 6.63 110.055 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 55.1 t80 -62.92 -33.5 75.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.971 -1.013 . . . . 3.38 111.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.504 HD11 ' HB ' ' B' ' 132' ' ' ILE . 55.4 tp -63.56 -56.67 24.38 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 122.786 0.434 . . . . 3.47 111.937 -176.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.85 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.78 110.396 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 3.06 111.682 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.98 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 2.39 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.08 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.72 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.888 HD12 HD12 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 1.04 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.63 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.93 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.406 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 2.16 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 1.14 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.73 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 1.05 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.563 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 1.26 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 2.29 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 1.38 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 1.13 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.42 110.274 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.6 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.594 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.01 110.71 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.496 HD11 ' HD2' ' B' ' 111' ' ' LYS . 94.1 mt -65.97 -40.83 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 2.04 110.137 177.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 45.7 mt-10 -58.44 -40.5 82.72 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.521 -0.763 . . . . 2.25 110.249 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.83 -45.09 83.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 4.07 111.368 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.504 ' HB ' HD11 ' B' ' 104' ' ' LEU . 13.9 mt -67.12 -40.34 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 3.01 110.711 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -74.25 -22.97 59.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.635 . . . . 3.49 112.088 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 57.7 mttp -72.13 -41.19 67.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.982 0.42 . . . . 4.18 111.359 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 118.55 -1.139 . . . . 4.46 112.824 -171.792 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--O 1.235 0.333 0 CA-C-O 121.043 0.351 . . . . 5.71 111.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 33.6 mt-10 -58.86 -25.19 63.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.326 -0.852 . . . . 5.13 111.576 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.28 -36.17 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 5.19 110.919 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 50.4 mtpt -94.31 -30.7 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.982 0.42 . . . . 6.63 111.023 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.837 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 74.2 t80 -62.23 -33.02 73.79 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.213 0.605 . . . . 3.39 111.916 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.608 HD11 ' HB ' ' A' ' 132' ' ' ILE . 61.3 tp -64.81 -55.68 26.6 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.47 112.289 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.62 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.86 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.635 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 103' ' ' TYR . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.79 111.004 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.62 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 3.06 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.98 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 2.39 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.08 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.72 111.386 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 HD12 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 1.04 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.63 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.92 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 2.16 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 1.14 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.638 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.73 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 1.05 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.568 ' HE2' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 1.26 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 2.29 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 1.38 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 1.13 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.42 110.46 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.6 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.837 ' HG2' ' HH ' ' A' ' 103' ' ' TYR . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt -63.32 -42.84 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 2.05 110.285 176.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -57.42 -39.56 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.18 0.514 . . . . 2.25 110.613 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.3 mtpt -63.21 -42.67 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.456 -0.793 . . . . 4.07 111.258 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.608 ' HB ' HD11 ' A' ' 104' ' ' LEU . 7.8 mt -75.07 -40.71 44.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.858 -0.337 . . . . 3.02 110.944 176.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 129' ' ' ILE . 27.0 mm-40 -57.73 -40.08 78.77 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.315 -0.402 . . . . 3.49 111.698 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -68.15 -26.54 65.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.292 -0.413 . . . . 4.18 110.992 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.857 -0.968 . . . . 4.46 111.152 -174.712 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 121.086 0.369 . . . . 5.71 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.661 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 33.4 mt-10 -58.81 -25.19 62.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 5.14 111.545 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.56 -36.05 79.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 5.19 110.953 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' B' ' 102' ' ' LYS . 50.6 mtpt -94.41 -30.57 14.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.922 0.391 . . . . 6.63 111.058 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.849 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 73.8 t80 -62.58 -33.01 74.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.208 0.603 . . . . 3.38 111.874 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.6 HD11 ' HB ' ' B' ' 132' ' ' ILE . 61.4 tp -64.42 -55.77 27.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.47 112.295 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.85 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.638 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.78 111.166 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.639 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.06 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.98 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.562 ' O ' ' HE2' ' B' ' 122' ' ' MET . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 2.39 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.08 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.72 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.934 HD12 HD12 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 1.04 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.63 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.93 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 2.16 109.134 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 1.14 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.635 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.73 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 1.05 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.566 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 1.26 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 2.29 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 1.38 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 1.13 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.42 110.478 -177.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.6 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.849 ' HG2' ' HH ' ' B' ' 103' ' ' TYR . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.01 110.584 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt -63.41 -42.82 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 2.04 110.205 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -57.58 -39.76 77.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.067 0.461 . . . . 2.25 110.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.519 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 48.0 mtpt -62.76 -42.94 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 4.07 111.392 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.6 ' HB ' HD11 ' B' ' 104' ' ' LEU . 7.8 mt -75.1 -40.19 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.87 0.367 . . . . 3.01 110.943 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 129' ' ' ILE . 26.5 mm-40 -57.99 -40.08 79.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.184 -0.462 . . . . 3.49 111.586 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 18.8 pttp -68.18 -26.63 65.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 4.18 111.068 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.899 0 CA-C-O 118.767 -1.018 . . . . 4.46 111.249 -174.154 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.48 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 14.0 Cg_endo . . . . . 0 N--CA 1.451 -1.025 0 CA-C-O 121.314 0.464 . . . . 5.71 111.462 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.8 -43.63 83.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.31 -0.859 . . . . 5.13 113.11 -160.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.465 ' C ' HD21 ' A' ' 101' ' ' ASN . 0.2 OUTLIER -88.48 -44.87 10.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.389 -0.597 . . . . 5.19 109.389 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.753 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 60.5 tttm -57.56 -9.17 1.03 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.523 -0.762 . . . . 6.63 112.216 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.492 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 60.1 t80 -59.51 -32.75 70.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.051 -0.406 . . . . 3.39 110.21 172.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.519 HD11 ' HB ' ' A' ' 132' ' ' ILE . 53.8 tp -67.13 -56.9 12.09 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.886 -0.597 . . . . 3.47 111.988 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.706 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.86 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7 110.006 175.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.79 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.706 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 3.06 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.98 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HA ' HD11 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 2.39 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.08 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.72 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.941 HD12 HD12 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 1.04 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.63 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.92 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 2.16 109.887 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 1.14 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.618 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.585 ' HB3' HD12 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 1.05 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.549 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 1.26 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 2.29 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 1.38 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD12 ' HB1' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 1.13 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.42 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.6 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.95 -42.67 95.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 2.05 110.114 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 71.1 mt-10 -57.39 -44.0 84.14 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.146 -0.479 . . . . 2.25 110.295 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 9.3 mtpm? -58.4 -46.18 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 4.07 111.24 -176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.519 ' HB ' HD11 ' A' ' 104' ' ' LEU . 15.7 mt -66.5 -46.65 85.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.166 -0.47 . . . . 3.02 110.764 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.51 -34.1 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.765 0.654 . . . . 3.49 112.765 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.714 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 52.6 mttm -65.2 -28.32 69.3 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.965 0.412 . . . . 4.18 110.884 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.211 0 CA-C-O 118.667 -1.074 . . . . 4.46 112.506 -172.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.492 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 13.7 Cg_endo . . . . . 0 N--CA 1.448 -1.169 0 CA-C-O 121.112 0.38 . . . . 5.71 111.377 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.09 -43.6 82.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.389 -0.823 . . . . 5.14 113.042 -160.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . 0.452 ' C ' HD21 ' B' ' 101' ' ' ASN . 0.2 OUTLIER -88.39 -44.99 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.341 -0.615 . . . . 5.19 109.341 -179.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.757 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 60.6 tttm -57.72 -9.0 1.04 Allowed 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.559 -0.746 . . . . 6.63 112.14 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.497 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 60.3 t80 -59.47 -32.94 70.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 3.38 110.305 172.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' B' ' 132' ' ' ILE . 53.1 tp -67.13 -56.85 12.21 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.794 -0.639 . . . . 3.47 112.077 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.725 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.85 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.757 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.78 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.725 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 3.06 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.98 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.524 ' HA ' HD11 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 2.39 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.08 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.72 112.591 -171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.941 HD12 HD12 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 1.04 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.63 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.93 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.408 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 2.16 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 1.14 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.73 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 1.05 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.553 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 1.26 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 2.29 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 1.38 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 1.13 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.42 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.6 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.56 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.01 110.598 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.01 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 2.04 109.999 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.741 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 72.0 mt-10 -57.21 -44.23 83.53 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.144 -0.48 . . . . 2.25 110.212 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 9.4 mtpm? -58.17 -46.58 85.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 4.07 111.107 -176.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.526 ' HB ' HD11 ' B' ' 104' ' ' LEU . 15.6 mt -66.33 -46.53 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.188 -0.46 . . . . 3.01 110.781 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.14 -34.71 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.816 0.672 . . . . 3.49 112.816 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.741 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 52.6 mttm -65.19 -28.05 69.12 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.003 0.43 . . . . 4.18 111.024 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.284 0 CA-C-O 118.737 -1.035 . . . . 4.46 112.418 -173.545 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 98.5 Cg_endo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 121.404 0.502 . . . . 5.71 112.21 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -79.23 -40.66 30.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.155 -0.93 . . . . 5.13 112.234 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -89.38 -50.89 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.9 -0.5 . . . . 5.19 110.642 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.455 ' HB3' ' CG ' ' A' ' 99' ' ' PRO . 8.7 ttpp -57.3 -6.9 0.47 Allowed 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.49 -0.777 . . . . 6.63 111.914 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.499 ' HH ' ' HG2' ' A' ' 128' ' ' GLU . 60.3 t80 -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.236 0.614 . . . . 3.39 110.155 173.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.575 HD11 ' HB ' ' A' ' 132' ' ' ILE . 60.3 tp -67.09 -56.82 12.36 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 122.894 0.478 . . . . 3.47 111.776 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.86 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.677 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.79 110.88 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.585 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 3.06 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.98 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.563 ' O ' ' HE2' ' A' ' 122' ' ' MET . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 2.39 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.08 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.72 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.927 HD12 HD12 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 1.04 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.63 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.92 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 2.16 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 1.14 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.664 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.73 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 1.05 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.565 ' HG2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 1.26 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 2.29 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 1.38 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 1.13 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.42 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.6 112.19 -176.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.539 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 104' ' ' LEU . 92.3 mt -59.61 -41.62 85.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 2.05 109.875 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.756 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.7 mt-10 -57.23 -43.07 82.54 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.709 -0.678 . . . . 2.25 110.894 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 1.1 mptm? -56.13 -49.7 73.19 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.964 0.411 . . . . 4.07 110.58 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.575 ' HB ' HD11 ' A' ' 104' ' ' LEU . 6.0 mt -67.23 -33.94 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.756 -0.656 . . . . 3.02 110.881 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -73.76 -37.02 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.131 -0.486 . . . . 3.49 111.692 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.756 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 52.4 mttm -74.51 -34.55 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.061 0.458 . . . . 4.18 110.77 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 CA-C-O 118.675 -1.069 . . . . 4.46 112.8 -172.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.451 ' CG ' ' HB3' ' B' ' 102' ' ' LYS . 93.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.272 0.447 . . . . 5.71 112.099 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -79.59 -40.41 29.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.227 -0.897 . . . . 5.14 112.344 -172.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -89.51 -50.53 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.153 0.501 . . . . 5.19 110.727 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.451 ' HB3' ' CG ' ' B' ' 99' ' ' PRO . 8.7 ttpp -57.82 -7.21 0.67 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.256 -0.883 . . . . 6.63 111.75 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . 0.495 ' HH ' ' HG2' ' B' ' 128' ' ' GLU . 60.8 t80 -62.18 -30.43 71.06 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.317 0.647 . . . . 3.38 110.255 173.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.56 HD11 ' HB ' ' B' ' 132' ' ' ILE . 60.4 tp -66.91 -57.06 12.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.935 0.494 . . . . 3.47 111.615 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.586 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.85 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.664 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.78 110.81 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.586 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 3.06 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.98 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.566 ' O ' ' HE2' ' B' ' 122' ' ' MET . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 2.39 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.08 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.72 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.927 HD12 HD12 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 1.04 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.63 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.93 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 2.16 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 1.14 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.677 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.73 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.564 ' HB3' HD13 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 1.05 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.571 ' HG2' HD21 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 1.26 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 2.29 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 1.38 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 1.13 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.42 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.6 112.359 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.524 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.01 111.079 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.438 HG22 HD12 ' B' ' 104' ' ' LEU . 91.3 mt -59.48 -41.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 2.04 109.857 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.752 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 38.6 mt-10 -57.01 -43.12 81.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.66 -0.7 . . . . 2.25 111.018 178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 1.1 mptm? -55.97 -49.68 72.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.906 0.384 . . . . 4.07 110.606 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.56 ' HB ' HD11 ' B' ' 104' ' ' LEU . 6.0 mt -67.31 -33.9 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.868 -0.606 . . . . 3.01 110.822 -178.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -73.74 -37.22 65.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.997 -0.547 . . . . 3.49 111.642 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.752 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 51.9 mttm -74.41 -33.99 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 4.18 110.922 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.52 -1.155 . . . . 4.46 112.698 -173.041 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.0 tp . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.1800000000000002 111.911 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.5099999999999998 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7000000000000002 110.046 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.6299999999999999 111.0 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.712 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 2.6699999999999999 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.6000000000000001 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.581 ' HA ' HD13 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 1.8899999999999999 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.0800000000000001 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.55000000000000004 111.317 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 0.31 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.55000000000000004 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.3 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 1.23 109.002 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 0.47999999999999998 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.47 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 0.46999999999999997 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 0.63 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 1.76 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 0.82999999999999996 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 0.52000000000000002 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.0700000000000001 110.127 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.3799999999999999 112.163 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 1.9199999999999999 110.349 178.038 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.5 tp . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.1800000000000002 112.035 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.5099999999999998 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.6299999999999999 111.119 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.724 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 2.6699999999999999 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.6000000000000001 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 1.8899999999999999 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.0800000000000001 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.415 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.55000000000000004 111.334 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.55000000000000004 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.3 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 1.23 109.038 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.47999999999999998 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.47 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 0.46999999999999997 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.621 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 0.63 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 0.82999999999999996 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 0.52000000000000002 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.0700000000000001 110.192 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.3799999999999999 112.171 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.0099999999999998 110.621 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 1.9199999999999999 110.209 177.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 129' ' ' ILE . 53.9 tp . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.1800000000000002 112.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.5099999999999998 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7000000000000002 110.341 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.6299999999999999 111.101 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 2.6699999999999999 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.6000000000000001 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 1.8899999999999999 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.0800000000000001 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.468 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.55000000000000004 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.31 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.581 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.55000000000000004 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.3 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 0.47999999999999998 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.47 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 0.46999999999999997 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.846 ' HG2' HD23 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 0.63 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 1.76 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 0.82999999999999996 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 0.52000000000000002 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.0700000000000001 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.3799999999999999 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 104' ' ' LEU . 97.5 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.9199999999999999 110.711 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.564 HD11 HG23 ' B' ' 129' ' ' ILE . 51.9 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.1800000000000002 112.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.5099999999999998 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.6299999999999999 110.936 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.626 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 2.6699999999999999 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.6000000000000001 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 1.8899999999999999 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.0800000000000001 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.55000000000000004 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.832 HD23 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 0.29999999999999999 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.576 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.55000000000000004 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.3 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 1.23 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.47999999999999998 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.47 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.46999999999999997 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.832 ' HG2' HD23 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 0.63 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 1.76 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 0.82999999999999996 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 0.52000000000000002 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.0700000000000001 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.3799999999999999 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.0099999999999998 110.526 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.564 HG23 HD11 ' B' ' 104' ' ' LEU . 97.4 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 1.9199999999999999 110.585 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 58.6 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.964 0.357 . . . . 3.1800000000000002 111.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.5099999999999998 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7000000000000002 109.804 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.6299999999999999 110.966 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 2.6699999999999999 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.6000000000000001 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 1.8899999999999999 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.0800000000000001 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.55000000000000004 111.617 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 0.31 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.55000000000000004 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.3 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.417 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 1.23 109.315 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 0.47999999999999998 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.47 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 0.46999999999999997 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 0.63 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 1.76 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 0.82999999999999996 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 0.52000000000000002 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.0700000000000001 110.419 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.3799999999999999 112.078 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 1.9199999999999999 110.229 177.362 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 58.4 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.999 0.37 . . . . 3.1800000000000002 111.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.83 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.5099999999999998 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.6299999999999999 110.959 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.83 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 2.6699999999999999 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.6000000000000001 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 1.8899999999999999 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.0800000000000001 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.417 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.55000000000000004 111.748 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 0.29999999999999999 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.55000000000000004 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.3 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 1.23 109.286 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 0.47999999999999998 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.47 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 0.46999999999999997 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 0.63 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 1.76 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 0.82999999999999996 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 0.52000000000000002 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.0700000000000001 110.257 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.3799999999999999 112.217 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.0099999999999998 110.799 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 1.9199999999999999 110.231 177.273 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 129' ' ' ILE . 52.0 tp . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.007 0.373 . . . . 3.1800000000000002 112.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.5099999999999998 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7000000000000002 109.953 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 128' ' ' GLU . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.6299999999999999 111.091 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 2.6699999999999999 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.6000000000000001 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 1.8899999999999999 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.0800000000000001 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.55000000000000004 112.47 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.31 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.55000000000000004 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.3 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.449 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 1.23 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 0.47999999999999998 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.47 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.46999999999999997 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 0.63 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 1.76 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' B' ' 124' ' ' LEU . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.82999999999999996 110.776 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 0.52000000000000002 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.0700000000000001 110.496 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.3799999999999999 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HG3' ' CD1' ' A' ' 107' ' ' LEU . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 1.9199999999999999 110.29 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.43 HD11 HG23 ' B' ' 129' ' ' ILE . 52.5 tp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.029 0.381 . . . . 3.1800000000000002 112.029 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.5099999999999998 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.6299999999999999 111.026 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 2.6699999999999999 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.6000000000000001 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 1.8899999999999999 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.0800000000000001 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.55000000000000004 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 0.29999999999999999 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.55000000000000004 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.3 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.429 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 1.23 109.038 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 0.47999999999999998 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.47 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 0.46999999999999997 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.618 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 0.63 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 1.76 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 0.82999999999999996 110.713 -177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 0.52000000000000002 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.0700000000000001 110.466 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.3799999999999999 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.0099999999999998 110.346 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 1.9199999999999999 110.327 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG23 ' A' ' 129' ' ' ILE . 58.2 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.1800000000000002 112.376 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.5099999999999998 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7000000000000002 110.296 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.6299999999999999 111.248 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 2.6699999999999999 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.6000000000000001 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 125' ' ' LEU . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 1.8899999999999999 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.0800000000000001 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.55000000000000004 112.631 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 0.31 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.55000000000000004 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.3 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 1.23 109.44 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 0.47999999999999998 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.47 111.19 -174.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.46999999999999997 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 0.63 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 1.76 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 0.82999999999999996 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 0.52000000000000002 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.0700000000000001 110.234 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.3799999999999999 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.563 HD12 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 1.9199999999999999 110.534 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.438 HD11 HG23 ' B' ' 129' ' ' ILE . 58.3 tp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.1800000000000002 112.529 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.5099999999999998 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.6299999999999999 111.205 -179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 2.6699999999999999 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.6000000000000001 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.602 ' HA ' HD13 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 1.8899999999999999 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.0800000000000001 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.55000000000000004 112.649 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 0.29999999999999999 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.55000000000000004 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.3 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 1.23 109.53 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 0.47999999999999998 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.47 111.087 -173.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 0.46999999999999997 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 0.63 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 1.76 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 0.82999999999999996 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 0.52000000000000002 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.0700000000000001 110.228 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.3799999999999999 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.0099999999999998 110.97 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.547 HD12 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 1.9199999999999999 110.477 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 62.4 tp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.1800000000000002 112.347 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.5099999999999998 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7000000000000002 110.156 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.6299999999999999 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 2.6699999999999999 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.6000000000000001 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 1.8899999999999999 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.0800000000000001 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.55000000000000004 111.339 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 0.31 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.55000000000000004 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.3 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 1.23 109.317 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 0.47999999999999998 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.47 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 0.46999999999999997 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 0.63 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 1.76 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 0.82999999999999996 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 0.52000000000000002 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.0700000000000001 110.393 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.3799999999999999 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 1.9199999999999999 110.07 178.093 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.7 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.1800000000000002 112.252 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.684 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.5099999999999998 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.6299999999999999 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.684 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 2.6699999999999999 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.6000000000000001 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 1.8899999999999999 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.0800000000000001 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.55000000000000004 111.291 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 0.29999999999999999 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.55000000000000004 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.3 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 1.23 109.321 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 0.47999999999999998 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.47 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 0.46999999999999997 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 0.63 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 1.76 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 0.82999999999999996 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.52000000000000002 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.0700000000000001 110.433 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.3799999999999999 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.0099999999999998 110.459 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.9199999999999999 110.265 177.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 65.7 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.1800000000000002 112.467 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.5099999999999998 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7000000000000002 110.185 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.6299999999999999 110.806 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 2.6699999999999999 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.6000000000000001 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' O ' ' HE1' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 1.8899999999999999 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.0800000000000001 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.442 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.55000000000000004 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.31 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.55000000000000004 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.3 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 1.23 109.299 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 0.47999999999999998 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.47 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 0.46999999999999997 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.674 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 0.63 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 1.76 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 0.82999999999999996 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 0.52000000000000002 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.0700000000000001 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.3799999999999999 111.957 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 1.9199999999999999 110.079 176.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 65.2 tp . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.1800000000000002 112.322 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.667 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.5099999999999998 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.6299999999999999 110.872 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.667 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 2.6699999999999999 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.6000000000000001 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.592 ' O ' ' HE1' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 1.8899999999999999 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.0800000000000001 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.55000000000000004 112.566 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 0.29999999999999999 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.55000000000000004 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.3 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.442 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 1.23 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.47999999999999998 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.47 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.46999999999999997 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 0.63 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 1.76 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 0.82999999999999996 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 0.52000000000000002 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.0700000000000001 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.3799999999999999 111.978 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.0099999999999998 110.912 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 1.9199999999999999 110.126 176.831 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 129' ' ' ILE . 59.5 tp . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.1800000000000002 112.472 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.5099999999999998 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7000000000000002 110.178 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.6299999999999999 111.124 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.624 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 2.6699999999999999 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.6000000000000001 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HA ' HD13 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 1.8899999999999999 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.0800000000000001 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.55000000000000004 112.334 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 0.31 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.55000000000000004 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.3 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 0.47999999999999998 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.47 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 0.46999999999999997 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.604 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 0.63 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 1.76 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 0.82999999999999996 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 0.52000000000000002 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.0700000000000001 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.3799999999999999 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 104' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 1.9199999999999999 110.067 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.562 HD11 HG23 ' B' ' 129' ' ' ILE . 59.4 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.1800000000000002 112.559 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.5099999999999998 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.6299999999999999 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.634 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 2.6699999999999999 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.6000000000000001 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 1.8899999999999999 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.0800000000000001 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.55000000000000004 112.503 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 0.29999999999999999 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.55000000000000004 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.3 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 1.23 109.514 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 0.47999999999999998 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.47 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.46999999999999997 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 1.76 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 0.82999999999999996 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.52000000000000002 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.0700000000000001 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.3799999999999999 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.0099999999999998 110.549 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.562 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 1.9199999999999999 110.182 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 129' ' ' ILE . 64.6 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.1800000000000002 112.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.5099999999999998 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7000000000000002 110.408 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.6299999999999999 111.184 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 2.6699999999999999 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.6000000000000001 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.592 ' HA ' HD13 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 1.8899999999999999 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.0800000000000001 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.55000000000000004 111.156 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.31 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.55000000000000004 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.3 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 1.23 109.771 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 0.47999999999999998 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 0.46999999999999997 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 0.63 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 1.76 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 0.82999999999999996 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 0.52000000000000002 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.0700000000000001 110.238 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.3799999999999999 112.111 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 104' ' ' LEU . 93.0 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 1.9199999999999999 110.526 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.456 HD11 HG23 ' B' ' 129' ' ' ILE . 65.1 tp . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.1800000000000002 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.5099999999999998 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.6299999999999999 111.24 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.563 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 2.6699999999999999 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.6000000000000001 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 1.8899999999999999 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.0800000000000001 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.55000000000000004 111.169 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 0.29999999999999999 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.55000000000000004 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.3 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 1.23 109.801 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 0.47999999999999998 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.47 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.705 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 0.46999999999999997 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.6 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 0.63 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.76 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 0.82999999999999996 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 0.52000000000000002 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.0700000000000001 110.194 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.3799999999999999 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.0099999999999998 110.583 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.456 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 1.9199999999999999 110.579 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 57.3 tp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.1800000000000002 111.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.68 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.5099999999999998 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7000000000000002 109.505 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.6299999999999999 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 2.6699999999999999 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.6000000000000001 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 1.8899999999999999 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.0800000000000001 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.435 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.55000000000000004 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 0.31 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.55000000000000004 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.3 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 1.23 108.746 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 0.47999999999999998 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.553 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.47 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 0.46999999999999997 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 0.63 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 1.76 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 0.82999999999999996 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.52000000000000002 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.0700000000000001 110.317 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.3799999999999999 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HD2' ' A' ' 111' ' ' LYS . 95.8 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 1.9199999999999999 110.218 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 56.5 tp . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.1800000000000002 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.5099999999999998 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.6299999999999999 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 2.6699999999999999 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.6000000000000001 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 1.8899999999999999 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.0800000000000001 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.55000000000000004 111.418 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 0.29999999999999999 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.55000000000000004 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.3 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 1.23 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 0.47999999999999998 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 0.46999999999999997 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 0.63 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 1.76 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 0.82999999999999996 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.52000000000000002 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.0700000000000001 110.434 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.3799999999999999 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.0099999999999998 110.419 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.415 HD12 ' HD2' ' B' ' 111' ' ' LYS . 95.8 mt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 1.9199999999999999 110.131 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 129' ' ' ILE . 53.7 tp . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 112.22 0.452 . . . . 3.1800000000000002 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.774 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.5099999999999998 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7000000000000002 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.6299999999999999 110.984 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.774 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 2.6699999999999999 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.6000000000000001 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HA ' HD13 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 1.8899999999999999 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.0800000000000001 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.55000000000000004 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.31 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.734 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.55000000000000004 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.3 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 1.23 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 0.47999999999999998 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.47 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 0.46999999999999997 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 0.63 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 1.76 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 0.82999999999999996 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.52000000000000002 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.0700000000000001 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.3799999999999999 112.414 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 104' ' ' LEU . 92.8 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 1.9199999999999999 110.028 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 129' ' ' ILE . 54.2 tp . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.306 0.484 . . . . 3.1800000000000002 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.788 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.5099999999999998 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.6299999999999999 111.21 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.788 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.6699999999999999 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.6000000000000001 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 1.8899999999999999 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.0800000000000001 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.55000000000000004 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.29999999999999999 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.55000000000000004 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.3 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 1.23 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.47999999999999998 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.47 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 0.46999999999999997 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 0.63 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 1.76 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 0.82999999999999996 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 0.52000000000000002 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.0700000000000001 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.3799999999999999 112.325 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.0099999999999998 110.854 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 104' ' ' LEU . 93.4 mt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 1.9199999999999999 109.872 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 48.9 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.608 0.596 . . . . 3.1800000000000002 112.608 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.63 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.5099999999999998 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7000000000000002 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.6299999999999999 110.814 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 2.6699999999999999 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.6000000000000001 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 1.8899999999999999 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.0800000000000001 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.411 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.55000000000000004 111.44 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 0.31 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.55000000000000004 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.3 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 1.23 109.078 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.47999999999999998 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.47 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 0.46999999999999997 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 0.63 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 1.76 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 0.82999999999999996 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.52000000000000002 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.0700000000000001 110.418 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.3799999999999999 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.9199999999999999 110.754 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 46.7 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.622 0.601 . . . . 3.1800000000000002 112.622 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.643 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.5099999999999998 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.6299999999999999 110.693 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 2.6699999999999999 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.6000000000000001 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 1.8899999999999999 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.0800000000000001 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.55000000000000004 111.422 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.29999999999999999 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.55000000000000004 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.3 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 1.23 109.044 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 0.47999999999999998 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.47 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 0.46999999999999997 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.603 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 0.63 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 1.76 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 0.82999999999999996 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 0.52000000000000002 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.0700000000000001 110.509 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.3799999999999999 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.0099999999999998 110.326 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.9199999999999999 110.813 176.331 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 55.0 tp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.1800000000000002 112.634 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.545 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.5099999999999998 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7000000000000002 110.085 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 104' ' ' LEU . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.6299999999999999 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.545 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 2.6699999999999999 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.6000000000000001 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.574 ' O ' ' HE1' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 1.8899999999999999 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.0800000000000001 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.409 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.55000000000000004 112.714 -174.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 0.31 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.55000000000000004 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.3 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.423 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 1.23 109.109 175.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.47999999999999998 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 0.46999999999999997 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.574 ' HE1' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 0.63 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 1.76 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 0.82999999999999996 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 0.52000000000000002 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.0700000000000001 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.3799999999999999 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 1.9199999999999999 110.37 177.436 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 55.5 tp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.1800000000000002 112.648 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.5099999999999998 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' B' ' 104' ' ' LEU . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.6299999999999999 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 2.6699999999999999 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.6000000000000001 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.579 ' O ' ' HE1' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 1.8899999999999999 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.0800000000000001 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.55000000000000004 112.722 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 0.29999999999999999 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.55000000000000004 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.3 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 1.23 109.178 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 0.47999999999999998 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.47 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 0.46999999999999997 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.579 ' HE1' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 0.63 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 1.76 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 0.82999999999999996 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 0.52000000000000002 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.0700000000000001 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.3799999999999999 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.0099999999999998 110.609 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 1.9199999999999999 110.324 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.1800000000000002 112.178 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.5099999999999998 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7000000000000002 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.6299999999999999 111.181 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 2.6699999999999999 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.6000000000000001 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HA ' HD13 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 1.8899999999999999 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.0800000000000001 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.55000000000000004 111.965 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 0.31 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.55000000000000004 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.3 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 1.23 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 0.47999999999999998 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 0.46999999999999997 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 0.63 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 1.76 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 0.82999999999999996 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 0.52000000000000002 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.0700000000000001 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.3799999999999999 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 1.9199999999999999 110.216 177.13 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.1800000000000002 112.346 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.5099999999999998 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.6299999999999999 111.234 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.663 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 2.6699999999999999 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.6000000000000001 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 1.8899999999999999 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.0800000000000001 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.55000000000000004 111.9 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.29999999999999999 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.55000000000000004 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.3 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 1.23 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 0.47999999999999998 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.47 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 0.46999999999999997 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.63 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 1.76 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 0.82999999999999996 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 0.52000000000000002 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.0700000000000001 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.3799999999999999 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.0099999999999998 110.801 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 104' ' ' LEU . 96.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 1.9199999999999999 110.118 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.5 HD11 HG23 ' A' ' 129' ' ' ILE . 59.8 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.1800000000000002 112.643 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.5099999999999998 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7000000000000002 110.165 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.6299999999999999 110.992 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 2.6699999999999999 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.6000000000000001 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 1.8899999999999999 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.0800000000000001 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.55000000000000004 111.1 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 0.31 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.55000000000000004 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.3 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 1.23 109.265 176.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 0.47999999999999998 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.47 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 0.46999999999999997 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 0.63 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 1.76 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 0.82999999999999996 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 0.52000000000000002 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.0700000000000001 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.3799999999999999 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 104' ' ' LEU . 95.4 mt . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 1.9199999999999999 110.224 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.509 HD11 HG23 ' B' ' 129' ' ' ILE . 59.7 tp . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.1800000000000002 112.414 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.5099999999999998 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.6299999999999999 110.886 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 2.6699999999999999 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.6000000000000001 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.62 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 1.8899999999999999 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.0800000000000001 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.55000000000000004 111.241 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.29999999999999999 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.55000000000000004 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.3 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' ALA . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 1.23 109.328 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 0.47999999999999998 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.47 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.46999999999999997 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 0.63 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 1.76 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 0.82999999999999996 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 0.52000000000000002 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.0700000000000001 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.3799999999999999 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.0099999999999998 110.635 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.509 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 1.9199999999999999 110.165 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.992 0.367 . . . . 3.1800000000000002 111.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.5099999999999998 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7000000000000002 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.6299999999999999 111.141 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.722 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 2.6699999999999999 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.6000000000000001 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 1.8899999999999999 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.0800000000000001 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.421 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.55000000000000004 112.32 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 0.31 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.55000000000000004 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.3 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 1.23 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 0.47999999999999998 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.47 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 0.46999999999999997 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.584 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 0.63 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 1.76 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 0.82999999999999996 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 0.52000000000000002 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.0700000000000001 110.54 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.3799999999999999 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 1.9199999999999999 110.285 177.702 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.017 0.377 . . . . 3.1800000000000002 112.017 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.744 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.5099999999999998 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.6299999999999999 111.017 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.744 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 2.6699999999999999 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.6000000000000001 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.537 ' O ' ' HE1' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 1.8899999999999999 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.0800000000000001 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.55000000000000004 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 0.29999999999999999 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.55000000000000004 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.3 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 1.23 109.138 176.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 0.47999999999999998 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.47 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 0.46999999999999997 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.581 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 1.76 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 0.82999999999999996 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 0.52000000000000002 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.0700000000000001 110.546 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.3799999999999999 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.0099999999999998 110.559 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 1.9199999999999999 110.351 177.795 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 129' ' ' ILE . 55.3 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 111.976 0.361 . . . . 3.1800000000000002 111.976 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.5099999999999998 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7000000000000002 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.6299999999999999 110.463 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 2.6699999999999999 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.6000000000000001 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 129' ' ' ILE . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 1.8899999999999999 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.0800000000000001 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.55000000000000004 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 0.31 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.55000000000000004 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.3 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.433 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 1.23 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 0.47999999999999998 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.47 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 0.46999999999999997 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.63 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 1.76 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 0.82999999999999996 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 0.52000000000000002 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.0700000000000001 110.388 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.3799999999999999 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 1.9199999999999999 110.171 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.534 HD11 HG23 ' B' ' 129' ' ' ILE . 55.4 tp . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 111.937 0.347 . . . . 3.1800000000000002 111.937 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.5099999999999998 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.6299999999999999 110.396 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.455 ' HA ' ' HB3' ' B' ' 111' ' ' LYS . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 2.6699999999999999 111.682 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.6000000000000001 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 1.8899999999999999 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.0800000000000001 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.55000000000000004 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 0.29999999999999999 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.55000000000000004 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.3 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.44 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 1.23 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 0.47999999999999998 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.47 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 0.46999999999999997 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 0.63 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 1.76 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 0.82999999999999996 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 0.52000000000000002 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.0700000000000001 110.274 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.3799999999999999 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.0099999999999998 110.71 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.534 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 1.9199999999999999 110.137 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.3 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.1800000000000002 112.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.5099999999999998 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.65 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7000000000000002 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.6299999999999999 111.004 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.686 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 2.6699999999999999 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.6000000000000001 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.589 ' O ' ' HE1' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 1.8899999999999999 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.0800000000000001 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.55000000000000004 111.386 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 0.31 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.55000000000000004 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.3 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 0.47999999999999998 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.652 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.47 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 0.46999999999999997 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 0.63 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 1.76 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 0.82999999999999996 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 0.52000000000000002 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.0700000000000001 110.46 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.3799999999999999 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 1.9199999999999999 110.285 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.4 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.1800000000000002 112.295 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.7 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.5099999999999998 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.652 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.6299999999999999 111.166 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.7 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 2.6699999999999999 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.6000000000000001 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.561 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 1.8899999999999999 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.0800000000000001 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.55000000000000004 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.29999999999999999 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.55000000000000004 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.3 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.401 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 0.47999999999999998 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.47 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.708 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 0.46999999999999997 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.597 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 0.63 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 1.76 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 0.82999999999999996 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 0.52000000000000002 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.0700000000000001 110.478 -177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.3799999999999999 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.0099999999999998 110.584 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 1.9199999999999999 110.205 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 129' ' ' ILE . 53.8 tp . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 111.988 0.366 . . . . 3.1800000000000002 111.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.5099999999999998 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7000000000000002 110.006 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.6299999999999999 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 2.6699999999999999 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.6000000000000001 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.491 ' HA ' HD13 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 1.8899999999999999 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.0800000000000001 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.55000000000000004 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 0.31 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.55000000000000004 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.3 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.42 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 1.23 109.887 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 0.47999999999999998 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.47 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.746 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 0.46999999999999997 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.726 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 0.63 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 1.76 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 0.82999999999999996 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 0.52000000000000002 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.0700000000000001 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.3799999999999999 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 104' ' ' LEU . 93.5 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 1.9199999999999999 110.114 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.077 0.399 . . . . 3.1800000000000002 112.077 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.5099999999999998 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.6299999999999999 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.786 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 2.6699999999999999 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.6000000000000001 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.489 ' HA ' HD13 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 1.8899999999999999 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.0800000000000001 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.55000000000000004 112.591 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 0.29999999999999999 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.55000000000000004 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.3 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 1.23 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.47999999999999998 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.47 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 0.46999999999999997 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.586 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 0.63 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 1.76 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 0.82999999999999996 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 0.52000000000000002 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.0700000000000001 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.3799999999999999 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.0099999999999998 110.598 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 1.9199999999999999 109.999 176.439 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 129' ' ' ILE . 60.3 tp . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.776 0.287 . . . . 3.1800000000000002 111.776 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.643 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.5099999999999998 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.694 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7000000000000002 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.6299999999999999 110.88 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.643 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 2.6699999999999999 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.6000000000000001 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' A' ' 125' ' ' LEU . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 1.8899999999999999 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.0800000000000001 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.55000000000000004 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 0.31 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.55000000000000004 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.3 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.47999999999999998 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.676 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 0.46999999999999997 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 0.63 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 1.76 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 0.82999999999999996 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 0.52000000000000002 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.0700000000000001 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.3799999999999999 112.19 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 128' ' ' GLU . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 104' ' ' LEU . 92.3 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.9199999999999999 109.875 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.481 HD11 HG23 ' B' ' 129' ' ' ILE . 60.4 tp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 111.615 0.228 . . . . 3.1800000000000002 111.615 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.5099999999999998 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.676 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.6299999999999999 110.81 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 2.6699999999999999 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.6000000000000001 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' B' ' 125' ' ' LEU . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 1.8899999999999999 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.0800000000000001 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.55000000000000004 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.29999999999999999 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.55000000000000004 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.3 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 1.23 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.47999999999999998 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.47 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.46999999999999997 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.61 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 0.63 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 0.82999999999999996 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 0.52000000000000002 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.0700000000000001 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.3799999999999999 112.359 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.0099999999999998 111.079 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 104' ' ' LEU . 91.3 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 1.9199999999999999 109.857 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 CA-C-O 121.274 0.448 . . . . 5.29 113.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 13.6 mm-40 -58.46 -39.64 80.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.391 -1.277 . . . . 5.1299999999999999 111.611 -173.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -37.37 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.834 -0.621 . . . . 5.1900000000000004 111.675 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 20.8 ttpt -93.94 -29.44 15.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 6.2699999999999996 110.608 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 132' ' ' ILE . 39.8 t80 -62.31 -35.39 78.92 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.488 0.715 . . . . 3.2400000000000002 111.776 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 132' ' ' ILE . 61.0 tp -63.1 -53.89 50.65 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.1800000000000002 111.911 -176.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.5099999999999998 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7000000000000002 110.046 174.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 103' ' ' TYR . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.6299999999999999 111.0 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.712 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 2.6699999999999999 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.6000000000000001 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.581 ' HA ' HD13 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 1.8899999999999999 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.0800000000000001 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.55000000000000004 111.317 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 0.31 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.55000000000000004 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.3 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 1.23 109.002 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 0.47999999999999998 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.47 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 0.46999999999999997 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 0.63 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 1.76 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 0.82999999999999996 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 0.52000000000000002 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.521 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.0700000000000001 110.127 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.3799999999999999 112.163 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.65 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 1.9199999999999999 110.349 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 126' ' ' THR . 51.3 mt-10 -57.82 -40.53 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 2.25 110.713 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 56.2 mttm -66.14 -42.75 88.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 3.73 111.239 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.581 ' HB ' HD13 ' A' ' 104' ' ' LEU . 13.7 mt -69.63 -41.49 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.786 0.327 . . . . 2.98 110.6 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -58.9 -42.5 89.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 3.4900000000000002 111.421 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.8 ptmm? -79.47 -37.64 36.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.414 -0.357 . . . . 3.8199999999999998 110.959 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.462 -1.188 . . . . 4.46 111.551 -177.155 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.378 0.491 . . . . 5.29 112.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 12.1 mm-40 -58.6 -39.59 80.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.458 -1.246 . . . . 5.1399999999999997 111.722 -173.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -37.93 79.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 5.1900000000000004 111.854 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 20.9 ttpt -93.61 -29.53 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.953 0.406 . . . . 6.2699999999999996 110.585 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.488 ' CD2' HD11 ' B' ' 132' ' ' ILE . 38.8 t80 -62.19 -35.67 79.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.562 0.745 . . . . 3.2400000000000002 111.669 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.5 tp -62.93 -53.87 51.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.1800000000000002 112.035 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.5099999999999998 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' B' ' 103' ' ' TYR . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.6299999999999999 111.119 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.724 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 2.6699999999999999 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.6000000000000001 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 1.8899999999999999 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.0800000000000001 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.415 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.55000000000000004 111.334 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 0.29999999999999999 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.55000000000000004 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.3 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 1.23 109.038 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.47999999999999998 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.47 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 0.46999999999999997 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.621 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 0.63 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 0.82999999999999996 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 0.52000000000000002 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.0700000000000001 110.192 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.3799999999999999 112.171 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.0099999999999998 110.621 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.38 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 1.9199999999999999 110.209 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 126' ' ' THR . 51.4 mt-10 -57.79 -40.42 79.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 2.25 110.746 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 56.2 mttm -66.11 -42.93 88.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.908 -0.587 . . . . 3.73 111.124 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.7 mt -69.38 -41.3 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 2.98 110.745 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.23 -42.36 90.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.94 -0.573 . . . . 3.4900000000000002 111.137 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.7 ptmm? -79.43 -38.49 34.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.482 -0.326 . . . . 3.8199999999999998 110.937 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 118.678 -1.068 . . . . 4.46 111.751 -177.403 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.345 -0.29 . . . . 5.29 111.345 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 5.7 mm-40 -59.02 -25.16 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 5.1299999999999999 110.875 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.9 76.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.529 -0.76 . . . . 5.1900000000000004 111.115 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 58.4 mtpt -98.9 -27.96 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 6.2699999999999996 111.067 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.632 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 50.6 t80 -63.1 -31.04 72.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.243 0.617 . . . . 3.2400000000000002 111.416 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' HB ' ' A' ' 132' ' ' ILE . 53.9 tp -65.22 -54.89 29.48 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.1800000000000002 112.541 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.5099999999999998 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7000000000000002 110.341 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 103' ' ' TYR . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.6299999999999999 111.101 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 2.6699999999999999 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.6000000000000001 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 1.8899999999999999 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.0800000000000001 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.468 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.55000000000000004 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.31 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.581 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.55000000000000004 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.3 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 0.47999999999999998 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.47 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 0.46999999999999997 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.846 ' HG2' HD23 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 0.63 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 1.76 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 0.82999999999999996 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 0.52000000000000002 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.0700000000000001 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.3799999999999999 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.546 ' O ' HG13 ' A' ' 132' ' ' ILE . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 104' ' ' LEU . 97.5 mt -64.9 -42.58 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.9199999999999999 110.711 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.46 -37.97 76.56 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.805 0.812 . . . . 2.25 109.892 175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 75.8 tttt -63.9 -48.94 74.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.496 -1.229 . . . . 3.73 111.543 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.58 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.2 mt -70.87 -40.09 76.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.909 0.385 . . . . 2.98 111.336 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.02 -28.69 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.16 -0.473 . . . . 3.4900000000000002 112.04 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.44 -23.7 50.45 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.507 -0.477 . . . . 3.8199999999999998 110.671 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.484 -1.176 . . . . 4.46 111.809 179.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.46 -0.465 0 N-CA-C 111.233 -0.334 . . . . 5.29 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.609 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 6.1 mm-40 -58.95 -25.34 63.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 5.1399999999999997 110.825 -176.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -33.57 75.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.444 -0.798 . . . . 5.1900000000000004 111.305 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 58.4 mtpt -99.25 -28.14 13.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 6.2699999999999996 110.839 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.609 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 50.7 t80 -62.82 -31.19 72.14 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 123.294 0.638 . . . . 3.2400000000000002 111.462 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' B' ' 132' ' ' ILE . 51.9 tp -65.2 -54.93 29.37 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.1800000000000002 112.356 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.5099999999999998 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' B' ' 103' ' ' TYR . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.6299999999999999 110.936 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.626 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 2.6699999999999999 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.6000000000000001 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 1.8899999999999999 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.0800000000000001 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.55000000000000004 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.832 HD23 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 0.29999999999999999 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.576 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.55000000000000004 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.3 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 1.23 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.47999999999999998 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.47 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.46999999999999997 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.832 ' HG2' HD23 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 0.63 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 1.76 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 0.82999999999999996 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 0.52000000000000002 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.0700000000000001 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.3799999999999999 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.54 ' O ' HG13 ' B' ' 132' ' ' ILE . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.0099999999999998 110.526 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.564 HG23 HD11 ' B' ' 104' ' ' LEU . 97.4 mt -64.62 -42.61 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 1.9199999999999999 110.585 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.66 -37.73 76.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.782 0.801 . . . . 2.25 109.867 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 76.0 tttt -64.06 -48.62 75.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.536 -1.211 . . . . 3.73 111.73 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' B' ' 104' ' ' LEU . 9.2 mt -71.46 -39.65 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.95 0.405 . . . . 2.98 111.189 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.15 -28.86 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 3.4900000000000002 112.071 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.26 -23.59 51.22 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.521 -0.472 . . . . 3.8199999999999998 110.649 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.413 -1.215 . . . . 4.46 111.844 178.886 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 102' ' ' LYS . 28.5 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 N-CA-C 111.079 -0.393 . . . . 5.29 111.079 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.05 -21.56 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.387 -0.824 . . . . 5.1299999999999999 112.371 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.71 -38.27 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 5.1900000000000004 109.44 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 99' ' ' PRO . 66.6 tttt -64.18 0.1 1.05 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.967 -0.56 . . . . 6.2699999999999996 111.878 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 107' ' ' LEU . 62.8 t80 -63.36 -28.46 70.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.157 0.583 . . . . 3.2400000000000002 110.049 167.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.637 HD13 ' HB ' ' A' ' 132' ' ' ILE . 58.6 tp -65.03 -55.4 27.35 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.366 -0.834 . . . . 3.1800000000000002 111.964 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.5099999999999998 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7000000000000002 109.804 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 103' ' ' TYR . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.6299999999999999 110.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 2.6699999999999999 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.6000000000000001 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 1.8899999999999999 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.0800000000000001 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.55000000000000004 111.617 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 0.31 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.55000000000000004 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.3 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.417 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 1.23 109.315 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 0.47999999999999998 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.47 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 0.46999999999999997 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 0.63 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 1.76 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 0.82999999999999996 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 0.52000000000000002 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.412 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.0700000000000001 110.419 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.3799999999999999 112.078 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 132' ' ' ILE . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.53 -41.14 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 1.9199999999999999 110.229 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 126' ' ' THR . 43.4 mt-10 -58.55 -39.93 81.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 2.25 110.763 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 92.7 mttt -60.88 -43.53 98.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.017 -0.538 . . . . 3.73 111.017 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.637 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.8 mt -72.18 -44.78 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.279 -0.419 . . . . 2.98 110.744 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -61.7 -36.11 79.96 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.468 0.544 . . . . 3.4900000000000002 112.468 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -67.25 -31.69 72.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 3.8199999999999998 110.926 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.078 0 CA-C-O 118.646 -1.085 . . . . 4.46 111.405 -174.778 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' B' ' 102' ' ' LYS . 28.1 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 N-CA-C 111.052 -0.403 . . . . 5.29 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.57 -21.12 64.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.398 -0.819 . . . . 5.1399999999999997 112.209 -169.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.58 -38.38 18.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.575 -0.528 . . . . 5.1900000000000004 109.575 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.458 ' CB ' ' HG2' ' B' ' 99' ' ' PRO . 67.7 tttt -64.55 -0.06 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.926 -0.579 . . . . 6.2699999999999996 111.804 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' B' ' 107' ' ' LEU . 63.4 t80 -62.95 -28.56 70.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 123.107 0.563 . . . . 3.2400000000000002 110.042 167.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' B' ' 132' ' ' ILE . 58.4 tp -64.95 -55.48 27.18 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.436 -0.802 . . . . 3.1800000000000002 111.999 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.83 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.5099999999999998 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' B' ' 103' ' ' TYR . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.6299999999999999 110.959 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.83 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 2.6699999999999999 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.6000000000000001 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 1.8899999999999999 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.0800000000000001 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.417 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.55000000000000004 111.748 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 0.29999999999999999 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.55000000000000004 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.3 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 1.23 109.286 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 0.47999999999999998 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.47 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 0.46999999999999997 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 0.63 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 1.76 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 0.82999999999999996 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 0.52000000000000002 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.0700000000000001 110.257 -177.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.3799999999999999 112.217 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 132' ' ' ILE . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.0099999999999998 110.799 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -41.42 92.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 1.9199999999999999 110.231 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 126' ' ' THR . 43.6 mt-10 -58.37 -39.83 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 2.25 110.87 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 92.3 mttt -60.99 -43.49 98.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.971 -0.558 . . . . 3.73 111.003 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.645 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -72.17 -44.53 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.353 -0.385 . . . . 2.98 110.737 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -61.86 -36.28 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.018 -0.537 . . . . 3.4900000000000002 112.263 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -67.26 -31.45 71.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.729 0.3 . . . . 3.8199999999999998 111.057 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.597 -1.113 . . . . 4.46 111.349 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 47.0 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 CA-C-O 121.039 0.35 . . . . 5.29 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.38 -25.29 67.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.653 -0.703 . . . . 5.1299999999999999 111.392 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.87 -38.41 79.69 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.866 0.466 . . . . 5.1900000000000004 109.968 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.701 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 63.7 tttm -57.31 -9.17 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.815 -0.63 . . . . 6.2699999999999996 112.303 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.498 ' CE1' HD11 ' A' ' 107' ' ' LEU . 53.3 t80 -62.3 -29.49 70.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.862 -0.524 . . . . 3.2400000000000002 110.356 173.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 132' ' ' ILE . 52.0 tp -66.43 -55.37 19.65 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.998 -0.546 . . . . 3.1800000000000002 112.007 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.5099999999999998 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7000000000000002 109.953 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 103' ' ' TYR . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.6299999999999999 111.091 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 2.6699999999999999 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.6000000000000001 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 1.8899999999999999 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.0800000000000001 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.55000000000000004 112.47 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.31 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.55000000000000004 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.3 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.449 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 1.23 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 0.47999999999999998 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.47 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.46999999999999997 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 0.63 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 1.76 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' B' ' 124' ' ' LEU . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.82999999999999996 110.776 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 0.52000000000000002 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.0700000000000001 110.496 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.3799999999999999 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 132' ' ' ILE . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt -63.21 -44.56 99.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 1.9199999999999999 110.29 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.9 mt-10 -57.9 -38.4 75.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.354 0.597 . . . . 2.25 110.138 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -65.81 -45.03 83.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.096 -0.956 . . . . 3.73 110.96 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD13 ' A' ' 104' ' ' LEU . 15.0 mt -69.75 -43.9 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.796 0.331 . . . . 2.98 111.35 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.3 -39.96 84.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 3.4900000000000002 111.418 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.43 -33.09 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.4 . . . . 3.8199999999999998 110.493 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 119.001 -0.888 . . . . 4.46 111.192 -173.828 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 46.9 Cg_endo . . . . . 0 N--CA 1.459 -0.541 0 CA-C-O 121.11 0.379 . . . . 5.29 111.759 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.11 -25.55 68.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.553 -0.749 . . . . 5.1399999999999997 111.399 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.2 -39.11 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.394 . . . . 5.1900000000000004 110.03 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.714 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 63.7 tttm -56.82 -9.29 0.76 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.757 -0.656 . . . . 6.2699999999999996 112.496 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' B' ' 107' ' ' LEU . 52.6 t80 -62.2 -29.53 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.896 -0.503 . . . . 3.2400000000000002 110.474 173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' B' ' 132' ' ' ILE . 52.5 tp -66.49 -55.24 19.78 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.922 -0.581 . . . . 3.1800000000000002 112.029 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.5099999999999998 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.504 HD11 ' CE1' ' B' ' 103' ' ' TYR . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.6299999999999999 111.026 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 2.6699999999999999 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.6000000000000001 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 1.8899999999999999 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.0800000000000001 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.55000000000000004 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 0.29999999999999999 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.55000000000000004 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.3 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.429 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 1.23 109.038 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 0.47999999999999998 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.47 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 0.46999999999999997 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.618 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 0.63 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 1.76 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 0.82999999999999996 110.713 -177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 0.52000000000000002 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.496 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.0700000000000001 110.466 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.3799999999999999 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 132' ' ' ILE . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.0099999999999998 110.346 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt -63.5 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 1.9199999999999999 110.327 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.9 mt-10 -58.05 -38.36 76.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.326 0.584 . . . . 2.25 110.056 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 25.0 ttpp -65.68 -44.99 84.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.079 -0.964 . . . . 3.73 111.022 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.6 mt -69.69 -44.23 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.747 0.308 . . . . 2.98 111.352 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.27 -39.96 84.55 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.111 -0.495 . . . . 3.4900000000000002 111.377 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' B' ' 131' ' ' LYS . 20.1 pttp -75.04 -33.54 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 3.8199999999999998 110.411 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.938 -0.924 . . . . 4.46 111.172 -173.302 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.471 -0.242 . . . . 5.29 111.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.02 -48.52 79.81 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.048 0.452 . . . . 5.1299999999999999 111.21 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -57.7 -35.61 70.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.016 -0.993 . . . . 5.1900000000000004 113.006 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 22.5 ttpp -95.85 -19.21 19.76 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.674 -0.411 . . . . 6.2699999999999996 110.712 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.477 ' CD2' HD11 ' A' ' 132' ' ' ILE . 64.1 t80 -63.33 -32.49 73.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.877 0.471 . . . . 3.2400000000000002 111.608 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 132' ' ' ILE . 58.2 tp -65.69 -55.36 23.82 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.1800000000000002 112.376 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.5099999999999998 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7000000000000002 110.296 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 103' ' ' TYR . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.6299999999999999 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 2.6699999999999999 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.6000000000000001 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 125' ' ' LEU . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 1.8899999999999999 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.0800000000000001 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.55000000000000004 112.631 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 0.31 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.55000000000000004 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.3 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 1.23 109.44 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 0.47999999999999998 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.47 111.19 -174.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.46999999999999997 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 0.63 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 1.76 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 0.82999999999999996 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 0.52000000000000002 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.0700000000000001 110.234 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.3799999999999999 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 132' ' ' ILE . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.563 HD12 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt -65.26 -41.6 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 1.9199999999999999 110.534 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 126' ' ' THR . 46.5 mt-10 -59.43 -38.24 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.367 0.603 . . . . 2.25 109.748 175.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 73.1 tttt -62.23 -49.65 74.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.886 -1.052 . . . . 3.73 111.547 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.54 ' HB ' HD13 ' A' ' 104' ' ' LEU . 11.0 mt -68.56 -42.33 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.386 -0.37 . . . . 2.98 110.944 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.78 -23.14 60.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 3.4900000000000002 112.225 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.39 -37.43 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.699 -0.401 . . . . 3.8199999999999998 110.621 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.39 -1.228 . . . . 4.46 111.364 -175.836 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.513 -0.226 . . . . 5.29 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.8 -48.39 79.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.006 0.431 . . . . 5.1399999999999997 111.324 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -58.25 -34.96 71.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 5.1900000000000004 112.959 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 22.5 ttpp -96.03 -19.36 19.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.473 -0.491 . . . . 6.2699999999999996 110.664 -175.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.483 ' CE2' HD11 ' B' ' 107' ' ' LEU . 63.6 t80 -63.16 -32.6 74.03 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.883 0.473 . . . . 3.2400000000000002 111.65 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 132' ' ' ILE . 58.3 tp -65.8 -55.33 23.41 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.1800000000000002 112.529 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.5099999999999998 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.483 HD11 ' CE2' ' B' ' 103' ' ' TYR . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.6299999999999999 111.205 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 2.6699999999999999 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.6000000000000001 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.602 ' HA ' HD13 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 1.8899999999999999 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.0800000000000001 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.55000000000000004 112.649 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 0.29999999999999999 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.55000000000000004 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.3 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 1.23 109.53 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 0.47999999999999998 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.47 111.087 -173.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 0.46999999999999997 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 0.63 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 1.76 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 0.82999999999999996 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 0.52000000000000002 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.0700000000000001 110.228 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.3799999999999999 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.52 ' O ' HG13 ' B' ' 132' ' ' ILE . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.0099999999999998 110.97 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.547 HD12 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt -65.09 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 1.9199999999999999 110.477 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 126' ' ' THR . 46.9 mt-10 -59.28 -38.4 80.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 2.25 109.832 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 72.3 tttt -62.2 -50.06 73.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.873 -1.058 . . . . 3.73 111.524 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.539 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.5 mt -67.97 -42.39 85.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 2.98 111.123 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.81 -22.82 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 3.4900000000000002 112.137 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.96 -37.33 22.4 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.568 -0.453 . . . . 3.8199999999999998 110.81 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.582 -1.121 . . . . 4.46 111.253 -175.878 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.927 0.303 . . . . 5.29 111.84 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 42.8 mt-10 -59.58 -28.93 67.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.63 -0.714 . . . . 5.1299999999999999 111.021 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -34.76 75.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.522 -0.763 . . . . 5.1900000000000004 111.17 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 65.4 mttp -99.65 -23.5 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.094 0.473 . . . . 6.2699999999999996 111.108 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.61 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 57.8 t80 -61.16 -33.68 73.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.374 0.669 . . . . 3.2400000000000002 111.364 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 132' ' ' ILE . 62.4 tp -63.98 -55.98 28.3 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.1800000000000002 112.347 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.5099999999999998 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7000000000000002 110.156 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.6299999999999999 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 2.6699999999999999 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.6000000000000001 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 1.8899999999999999 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.0800000000000001 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.55000000000000004 111.339 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 0.31 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.55000000000000004 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.3 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 1.23 109.317 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 0.47999999999999998 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.47 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 0.46999999999999997 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 0.63 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 1.76 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 0.82999999999999996 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 0.52000000000000002 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.0700000000000001 110.393 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.3799999999999999 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.33 -41.77 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 1.9199999999999999 110.07 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 126' ' ' THR . 44.8 mt-10 -57.37 -39.64 76.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.095 0.474 . . . . 2.25 110.521 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.0 mtpt -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.571 -0.741 . . . . 3.73 111.226 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.587 ' HB ' HD13 ' A' ' 104' ' ' LEU . 12.6 mt -70.68 -41.74 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 2.98 111.055 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 13.9 mm-40 -64.92 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 3.4900000000000002 111.677 -178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -74.94 -27.39 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.702 -0.399 . . . . 3.8199999999999998 110.765 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.392 -1.226 . . . . 4.46 112.26 179.418 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 N--CA 1.46 -0.444 0 CA-C-O 121.082 0.367 . . . . 5.29 111.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.626 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 42.2 mt-10 -59.46 -28.96 67.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 5.1399999999999997 111.088 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -34.31 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 5.1900000000000004 111.235 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 65.4 mttp -99.69 -23.78 14.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.001 0.429 . . . . 6.2699999999999996 110.984 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 57.9 t80 -61.08 -33.56 73.53 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.274 0.63 . . . . 3.2400000000000002 111.388 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.7 tp -64.18 -55.9 28.0 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.1800000000000002 112.252 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.684 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.5099999999999998 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.6299999999999999 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.684 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 2.6699999999999999 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.6000000000000001 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 1.8899999999999999 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.0800000000000001 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.55000000000000004 111.291 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 0.29999999999999999 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.55000000000000004 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.3 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 1.23 109.321 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 0.47999999999999998 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.47 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 0.46999999999999997 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 0.63 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 1.76 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 0.82999999999999996 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.52000000000000002 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.0700000000000001 110.433 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.3799999999999999 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.537 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.0099999999999998 110.459 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.39 -41.79 92.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.9199999999999999 110.265 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 126' ' ' THR . 44.5 mt-10 -57.3 -39.76 76.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.101 -0.499 . . . . 2.25 110.52 177.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 47.8 mtpt -65.37 -44.6 87.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 3.73 111.332 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' B' ' 104' ' ' LEU . 12.8 mt -70.65 -42.09 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 2.98 110.816 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.463 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 14.2 mm-40 -64.63 -38.0 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 3.4900000000000002 111.583 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -74.96 -27.08 60.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.804 -0.358 . . . . 3.8199999999999998 110.853 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.593 -1.115 . . . . 4.46 112.192 179.348 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.571 ' HG2' ' CG ' ' A' ' 102' ' ' LYS . 39.6 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.407 0.503 . . . . 5.29 111.746 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HG2' HG23 ' A' ' 132' ' ' ILE . 35.7 tt0 -59.0 -31.98 69.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.179 . . . . 5.1299999999999999 111.691 -173.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.9 -36.23 78.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 5.1900000000000004 111.372 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' CG ' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -102.09 -17.83 15.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 6.2699999999999996 110.521 -177.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 132' ' ' ILE . 59.5 t80 -62.65 -31.46 72.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.705 -0.679 . . . . 3.2400000000000002 110.991 175.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 132' ' ' ILE . 65.7 tp -64.62 -55.92 25.84 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.1800000000000002 112.467 -177.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.5099999999999998 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7000000000000002 110.185 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 103' ' ' TYR . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.6299999999999999 110.806 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 2.6699999999999999 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.6000000000000001 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' O ' ' HE1' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 1.8899999999999999 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.0800000000000001 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.442 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.55000000000000004 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.31 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.55000000000000004 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.3 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 1.23 109.299 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 0.47999999999999998 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.47 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 0.46999999999999997 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.674 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 0.63 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 1.76 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 0.82999999999999996 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 0.52000000000000002 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.0700000000000001 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.3799999999999999 111.957 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.589 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.24 -39.73 85.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 1.9199999999999999 110.079 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 42.6 mt-10 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 2.25 110.823 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -57.45 -48.76 78.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.047 0.451 . . . . 3.73 110.83 179.083 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.684 HG23 ' HG2' ' A' ' 100' ' ' GLU . 8.4 mt -68.12 -40.66 83.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.816 -0.629 . . . . 2.98 110.96 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 17.1 mm-40 -67.89 -39.38 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.4900000000000002 111.288 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -74.11 -32.09 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.547 -0.297 . . . . 3.8199999999999998 111.097 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.602 -1.11 . . . . 4.46 111.953 179.445 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.575 ' HG2' ' CG ' ' B' ' 102' ' ' LYS . 40.3 Cg_endo . . . . . 0 N--CA 1.459 -0.539 0 CA-C-O 121.49 0.538 . . . . 5.29 111.635 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.694 ' HG2' HG23 ' B' ' 132' ' ' ILE . 35.5 tt0 -58.91 -32.01 69.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.209 . . . . 5.1399999999999997 111.68 -173.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -36.14 78.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.112 -0.495 . . . . 5.1900000000000004 111.263 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.575 ' CG ' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -102.31 -17.96 15.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.184 0.516 . . . . 6.2699999999999996 110.556 -177.462 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.455 ' CD2' HD11 ' B' ' 132' ' ' ILE . 59.5 t80 -62.64 -31.44 72.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.714 -0.676 . . . . 3.2400000000000002 110.972 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 132' ' ' ILE . 65.2 tp -64.6 -56.06 24.97 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.1800000000000002 112.322 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.667 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.5099999999999998 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.6299999999999999 110.872 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.667 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 2.6699999999999999 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.6000000000000001 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.592 ' O ' ' HE1' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 1.8899999999999999 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.0800000000000001 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.55000000000000004 112.566 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 0.29999999999999999 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.55000000000000004 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.3 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.442 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 1.23 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.47999999999999998 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.47 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.46999999999999997 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 0.63 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 1.76 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 0.82999999999999996 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 0.52000000000000002 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.0700000000000001 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.3799999999999999 111.978 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.589 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.0099999999999998 110.912 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 1.9199999999999999 110.126 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 127' ' ' ALA . 42.9 mt-10 -57.26 -42.57 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 2.25 110.819 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 0.4 OUTLIER -57.31 -48.65 78.41 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.118 0.485 . . . . 3.73 110.913 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.694 HG23 ' HG2' ' B' ' 100' ' ' GLU . 8.4 mt -68.33 -40.96 83.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 2.98 110.953 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -67.3 -39.71 85.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 3.4900000000000002 111.483 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -73.75 -31.32 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.504 -0.317 . . . . 3.8199999999999998 111.257 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.316 -1.269 . . . . 4.46 111.898 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 42.7 Cg_endo . . . . . 0 C--O 1.237 0.451 0 CA-C-O 121.268 0.445 . . . . 5.29 111.814 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 132' ' ' ILE . 12.3 mm-40 -59.03 -26.08 64.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.939 -1.028 . . . . 5.1299999999999999 111.991 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -35.17 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 5.1900000000000004 111.386 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 4.6 mptp? -91.42 -34.09 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.198 0.523 . . . . 6.2699999999999996 110.38 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.598 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 44.8 t80 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.767 0.827 . . . . 3.2400000000000002 112.091 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 129' ' ' ILE . 59.5 tp -64.62 -54.43 36.74 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.1800000000000002 112.472 -175.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.5099999999999998 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7000000000000002 110.178 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.6299999999999999 111.124 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.624 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 2.6699999999999999 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.6000000000000001 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HA ' HD13 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 1.8899999999999999 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.0800000000000001 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.55000000000000004 112.334 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 0.31 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.55000000000000004 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.3 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 0.47999999999999998 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.47 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 0.46999999999999997 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.604 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 0.63 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 1.76 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 0.82999999999999996 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 0.52000000000000002 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.0700000000000001 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.3799999999999999 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' HG13 ' A' ' 132' ' ' ILE . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 104' ' ' LEU . 95.6 mt -61.6 -40.52 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 1.9199999999999999 110.067 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.785 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.4 mt-10 -57.56 -43.55 84.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.843 -0.617 . . . . 2.25 110.366 175.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.57 -49.19 77.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.125 0.488 . . . . 3.73 110.649 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 100' ' ' GLU . 9.7 mt -65.66 -44.67 93.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.555 -0.748 . . . . 2.98 110.854 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -74.89 -22.54 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.702 0.63 . . . . 3.4900000000000002 112.702 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.785 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 62.6 mttm -73.71 -30.79 63.06 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.04 0.448 . . . . 3.8199999999999998 110.676 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.215 0 CA-C-O 118.566 -1.13 . . . . 4.46 112.413 -172.547 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.517 ' HG2' ' HD3' ' B' ' 102' ' ' LYS . 42.9 Cg_endo . . . . . 0 N--CA 1.462 -0.339 0 CA-C-O 121.275 0.448 . . . . 5.29 111.733 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.72 ' HB3' HG23 ' B' ' 132' ' ' ILE . 12.0 mm-40 -59.01 -26.08 64.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.859 -1.064 . . . . 5.1399999999999997 111.947 -174.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -35.04 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 5.1900000000000004 111.48 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 4.6 mptp? -91.57 -33.69 15.04 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.364 0.602 . . . . 6.2699999999999996 110.57 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 46.2 t80 -60.57 -36.1 77.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 3.2400000000000002 111.965 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.562 HD11 HG23 ' B' ' 129' ' ' ILE . 59.4 tp -64.58 -54.4 37.18 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.1800000000000002 112.559 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.5099999999999998 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.6299999999999999 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.634 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 2.6699999999999999 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.6000000000000001 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 1.8899999999999999 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.0800000000000001 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.55000000000000004 112.503 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 0.29999999999999999 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.55000000000000004 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.3 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 1.23 109.514 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 0.47999999999999998 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.47 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.46999999999999997 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 1.76 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 0.82999999999999996 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.52000000000000002 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.0700000000000001 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.3799999999999999 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 132' ' ' ILE . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.0099999999999998 110.549 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.562 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt -61.63 -40.22 85.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 1.9199999999999999 110.182 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.788 ' HB3' ' HE2' ' B' ' 134' ' ' LYS . 37.3 mt-10 -57.88 -43.55 86.11 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.756 -0.656 . . . . 2.25 110.393 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.58 -49.18 77.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.952 0.406 . . . . 3.73 110.575 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.72 HG23 ' HB3' ' B' ' 100' ' ' GLU . 9.3 mt -65.63 -44.53 93.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.392 -0.822 . . . . 2.98 110.854 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -74.72 -23.07 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 3.4900000000000002 112.649 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.788 ' HE2' ' HB3' ' B' ' 130' ' ' GLU . 63.0 mttm -73.34 -31.43 63.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.111 0.481 . . . . 3.8199999999999998 110.602 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.32 0 CA-C-O 118.579 -1.123 . . . . 4.46 112.341 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.633 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 98.6 Cg_endo . . . . . 0 CA--C 1.519 -0.263 0 CA-C-O 121.247 0.436 . . . . 5.29 111.089 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -41.72 85.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.939 -1.028 . . . . 5.1299999999999999 111.771 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.66 -32.76 74.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.846 -0.615 . . . . 5.1900000000000004 111.831 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.633 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -90.53 -30.23 17.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.907 0.384 . . . . 6.2699999999999996 111.41 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 132' ' ' ILE . 45.5 t80 -60.64 -35.92 77.38 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.443 0.697 . . . . 3.2400000000000002 112.23 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 132' ' ' ILE . 64.6 tp -64.17 -55.97 27.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.1800000000000002 112.315 -175.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.5099999999999998 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7000000000000002 110.408 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 103' ' ' TYR . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.6299999999999999 111.184 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 2.6699999999999999 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.6000000000000001 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.592 ' HA ' HD13 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 1.8899999999999999 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.0800000000000001 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.55000000000000004 111.156 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.31 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.55000000000000004 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.3 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 1.23 109.771 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 0.47999999999999998 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 0.46999999999999997 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 0.63 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 1.76 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 0.82999999999999996 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 0.52000000000000002 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.596 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.0700000000000001 110.238 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.3799999999999999 112.111 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.459 ' O ' HG13 ' A' ' 132' ' ' ILE . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 104' ' ' LEU . 93.0 mt -64.81 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 1.9199999999999999 110.526 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 126' ' ' THR . 59.8 mt-10 -58.32 -40.62 82.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 2.25 110.31 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 134' ' ' LYS . 65.4 mttm -62.89 -47.09 84.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 3.73 111.118 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.585 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.8 mt -67.95 -42.19 85.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 2.98 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 3.4900000000000002 112.086 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 131' ' ' LYS . 21.0 pttp -81.48 -34.36 31.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.96 0.409 . . . . 3.8199999999999998 110.5 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.466 -1.186 . . . . 4.46 111.245 -175.57 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.624 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 94.7 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.025 -0.414 . . . . 5.29 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.66 -41.7 86.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.024 -0.989 . . . . 5.1399999999999997 111.804 -171.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -64.69 -32.7 74.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.748 -0.66 . . . . 5.1900000000000004 111.82 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -90.19 -30.57 17.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.86 0.362 . . . . 6.2699999999999996 111.49 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' B' ' 132' ' ' ILE . 45.8 t80 -60.68 -36.15 78.05 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.396 0.678 . . . . 3.2400000000000002 112.186 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' B' ' 132' ' ' ILE . 65.1 tp -63.81 -55.91 29.57 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.1800000000000002 112.469 -175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.5099999999999998 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' ' 103' ' ' TYR . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.6299999999999999 111.24 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.563 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 2.6699999999999999 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.6000000000000001 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 1.8899999999999999 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.0800000000000001 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.55000000000000004 111.169 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 0.29999999999999999 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.55000000000000004 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.3 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 1.23 109.801 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 0.47999999999999998 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.47 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.705 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 0.46999999999999997 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.6 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 0.63 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.76 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 0.82999999999999996 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 0.52000000000000002 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.582 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.0700000000000001 110.194 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.3799999999999999 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.474 ' O ' HG13 ' B' ' 132' ' ' ILE . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.0099999999999998 110.583 -178.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.456 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt -64.82 -40.87 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 1.9199999999999999 110.579 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 126' ' ' THR . 61.3 mt-10 -57.92 -40.89 81.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.065 -0.516 . . . . 2.25 110.247 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 65.0 mttm -62.61 -47.5 83.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.626 -0.715 . . . . 3.73 111.194 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.586 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -67.59 -42.32 86.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.841 0.353 . . . . 2.98 111.111 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -71.03 -29.58 65.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 3.4900000000000002 112.15 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 131' ' ' LYS . 20.9 pttp -82.23 -34.02 29.05 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.678 -0.409 . . . . 3.8199999999999998 110.624 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.54 -1.144 . . . . 4.46 111.128 -175.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.036 -0.409 . . . . 5.29 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.7 mt-10 -59.12 -28.45 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.774 -0.648 . . . . 5.1299999999999999 111.084 -176.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -61.71 -35.15 77.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.733 -0.667 . . . . 5.1900000000000004 111.674 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 9.2 ttpp -95.27 -29.73 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 6.2699999999999996 110.795 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.502 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 60.4 t80 -62.19 -31.94 72.52 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.16 0.584 . . . . 3.2400000000000002 111.77 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.534 HD13 ' HB ' ' A' ' 132' ' ' ILE . 57.3 tp -65.59 -55.18 25.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.1800000000000002 111.977 -177.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.68 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.5099999999999998 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7000000000000002 109.505 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.6299999999999999 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 2.6699999999999999 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.6000000000000001 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 1.8899999999999999 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.0800000000000001 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.435 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.55000000000000004 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 0.31 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.55000000000000004 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.3 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 1.23 108.746 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 0.47999999999999998 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.553 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.47 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 0.46999999999999997 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 0.63 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 1.76 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 0.82999999999999996 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.52000000000000002 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.0700000000000001 110.317 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.3799999999999999 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 132' ' ' ILE . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HD2' ' A' ' 111' ' ' LYS . 95.8 mt -65.51 -41.21 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 1.9199999999999999 110.218 177.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.798 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 32.2 mt-10 -57.96 -43.26 86.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.986 -0.552 . . . . 2.25 110.015 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -58.12 -47.2 84.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.781 0.324 . . . . 3.73 110.925 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.534 ' HB ' HD13 ' A' ' 104' ' ' LEU . 10.3 mt -68.68 -41.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.98 -0.554 . . . . 2.98 110.86 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.28 -25.32 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.438 0.533 . . . . 3.4900000000000002 112.438 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.798 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 72.3 mmtt -69.24 -39.06 78.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.412 0.625 . . . . 3.8199999999999998 110.413 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.361 0 CA-C-O 118.804 -0.998 . . . . 4.46 112.499 -172.119 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.457 -0.629 0 N-CA-C 110.915 -0.456 . . . . 5.29 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 44.8 mt-10 -59.42 -27.84 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 5.1399999999999997 111.16 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -62.46 -34.84 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 5.1900000000000004 111.613 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.1 ttpp -95.61 -29.88 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 6.2699999999999996 110.754 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 60.4 t80 -61.74 -32.3 72.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.256 0.622 . . . . 3.2400000000000002 111.832 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB ' ' B' ' 132' ' ' ILE . 56.5 tp -65.35 -54.99 27.99 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.1800000000000002 112.008 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.5099999999999998 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.6299999999999999 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 2.6699999999999999 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.6000000000000001 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 1.8899999999999999 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.0800000000000001 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.55000000000000004 111.418 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 0.29999999999999999 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.55000000000000004 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.3 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 1.23 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 0.47999999999999998 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 0.46999999999999997 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 0.63 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 1.76 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 0.82999999999999996 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.52000000000000002 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.0700000000000001 110.434 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.3799999999999999 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.491 ' O ' HG13 ' B' ' 132' ' ' ILE . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.0099999999999998 110.419 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.415 HD12 ' HD2' ' B' ' 111' ' ' LYS . 95.8 mt -65.44 -41.31 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 1.9199999999999999 110.131 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.79 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 33.3 mt-10 -57.87 -43.49 86.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.077 -0.51 . . . . 2.25 109.892 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -57.97 -46.9 84.42 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.945 0.402 . . . . 3.73 111.114 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.552 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -68.79 -41.56 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.981 -0.554 . . . . 2.98 110.796 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.486 0.55 . . . . 3.4900000000000002 112.486 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.79 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 72.1 mmtt -68.87 -39.47 79.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.185 0.517 . . . . 3.8199999999999998 110.482 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.554 0 CA-C-O 118.648 -1.084 . . . . 4.46 112.394 -171.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.568 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.189 0.412 . . . . 5.29 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -34.27 76.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.155 -0.929 . . . . 5.1299999999999999 112.952 -163.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -86.28 -44.42 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.249 -0.282 . . . . 5.1900000000000004 110.422 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.568 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 14.3 mptt -56.32 -10.5 0.92 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.575 0.583 . . . . 6.2699999999999996 112.575 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.496 ' CE2' HD11 ' A' ' 107' ' ' LEU . 71.1 t80 -60.11 -32.73 71.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.924 0.392 . . . . 3.2400000000000002 110.466 170.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 129' ' ' ILE . 53.7 tp -66.67 -54.08 24.82 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.946 -0.57 . . . . 3.1800000000000002 112.22 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.774 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.5099999999999998 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7000000000000002 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' A' ' 103' ' ' TYR . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.6299999999999999 110.984 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.774 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 2.6699999999999999 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.6000000000000001 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HA ' HD13 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 1.8899999999999999 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.0800000000000001 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.55000000000000004 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.31 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.734 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.55000000000000004 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.3 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 1.23 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 0.47999999999999998 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.47 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 0.46999999999999997 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 0.63 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 1.76 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 0.82999999999999996 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.52000000000000002 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.0700000000000001 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.3799999999999999 112.414 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 132' ' ' ILE . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 104' ' ' LEU . 92.8 mt -62.2 -40.19 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 1.9199999999999999 110.028 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.768 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 50.9 mt-10 -56.44 -45.56 80.73 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.527 -0.76 . . . . 2.25 110.065 176.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.06 -46.35 89.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.61 0.243 . . . . 3.73 110.941 -175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 104' ' ' LEU . 13.8 mt -65.99 -42.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 2.98 110.813 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -74.58 -42.32 58.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 3.4900000000000002 111.993 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.768 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.3 ptpt -77.07 -39.42 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.275 -0.17 . . . . 3.8199999999999998 111.393 -174.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.972 0 CA-C-O 118.78 -1.011 . . . . 4.46 111.685 -177.009 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.58 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 121.24 0.433 . . . . 5.29 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.1 -34.08 75.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.06 -0.973 . . . . 5.1399999999999997 112.987 -164.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -86.52 -44.27 12.08 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 122.189 -0.32 . . . . 5.1900000000000004 110.377 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 14.3 mptt -56.36 -10.81 1.0 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.424 0.528 . . . . 6.2699999999999996 112.424 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' B' ' 107' ' ' LEU . 71.2 t80 -59.96 -32.81 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.888 0.375 . . . . 3.2400000000000002 110.418 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 129' ' ' ILE . 54.2 tp -66.52 -54.11 25.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.933 -0.576 . . . . 3.1800000000000002 112.306 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.788 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.5099999999999998 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' B' ' 103' ' ' TYR . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.6299999999999999 111.21 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.788 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.6699999999999999 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.6000000000000001 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 1.8899999999999999 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.0800000000000001 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.55000000000000004 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.29999999999999999 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.55000000000000004 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.3 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 1.23 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.47999999999999998 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.47 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 0.46999999999999997 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 0.63 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 1.76 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 0.82999999999999996 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 0.52000000000000002 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.0700000000000001 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.3799999999999999 112.325 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 132' ' ' ILE . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.0099999999999998 110.854 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 104' ' ' LEU . 93.4 mt -62.59 -40.28 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 1.9199999999999999 109.872 176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.789 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 51.4 mt-10 -56.2 -45.73 79.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.594 -0.73 . . . . 2.25 110.169 176.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -60.23 -45.77 92.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.745 0.307 . . . . 3.73 110.925 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.55 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.9 mt -66.36 -42.65 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.143 0.497 . . . . 2.98 110.74 -178.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.47 -42.51 58.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.767 -0.651 . . . . 3.4900000000000002 111.839 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.789 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.3 ptpt -76.88 -39.66 50.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.573 0.225 . . . . 3.8199999999999998 111.483 -174.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.724 0 CA-C-O 118.842 -0.977 . . . . 4.46 111.842 -176.877 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 109.819 -0.877 . . . . 5.29 109.819 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.36 -33.12 75.1 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.895 0.702 . . . . 5.1299999999999999 112.895 -165.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -89.73 -47.59 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.33 0.586 . . . . 5.1900000000000004 110.438 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.582 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 42.8 mtmt -73.02 13.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 6.2699999999999996 112.991 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 107' ' ' LEU . 49.5 t80 -64.76 -27.66 69.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.794 0.807 . . . . 3.2400000000000002 108.989 161.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' A' ' 132' ' ' ILE . 48.9 tp -65.42 -54.86 28.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 114.508 -1.223 . . . . 3.1800000000000002 112.608 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.63 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.5099999999999998 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7000000000000002 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 103' ' ' TYR . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.6299999999999999 110.814 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 2.6699999999999999 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.6000000000000001 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 1.8899999999999999 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.0800000000000001 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.411 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.55000000000000004 111.44 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 0.31 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.55000000000000004 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.3 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 1.23 109.078 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.47999999999999998 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.47 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 0.46999999999999997 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 0.63 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 1.76 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 0.82999999999999996 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.52000000000000002 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.496 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.0700000000000001 110.418 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.3799999999999999 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 132' ' ' ILE . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.76 -43.08 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.9199999999999999 110.754 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -59.9 -38.02 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.529 0.681 . . . . 2.25 109.757 176.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 74.5 tttt -60.78 -47.05 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.71 -1.132 . . . . 3.73 111.677 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' A' ' 104' ' ' LEU . 11.0 mt -72.55 -43.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.832 0.348 . . . . 2.98 111.342 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.03 -22.86 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.951 0.723 . . . . 3.4900000000000002 112.951 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 131' ' ' LYS . 21.5 pttp -72.31 -28.33 63.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.758 -0.377 . . . . 3.8199999999999998 110.549 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.542 -1.143 . . . . 4.46 111.354 -175.534 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 41.8 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 109.863 -0.86 . . . . 5.29 109.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.27 -32.91 74.69 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.977 0.732 . . . . 5.1399999999999997 112.977 -165.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.96 -47.7 7.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.22 0.533 . . . . 5.1900000000000004 110.461 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.584 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 42.9 mtmt -73.16 13.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.509 -0.769 . . . . 6.2699999999999996 112.944 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.45 ' CE2' HD11 ' B' ' 107' ' ' LEU . 50.4 t80 -64.67 -27.81 69.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.739 0.78 . . . . 3.2400000000000002 109.017 161.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.584 HD13 ' HB ' ' B' ' 132' ' ' ILE . 46.7 tp -65.21 -55.09 28.2 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 114.558 -1.201 . . . . 3.1800000000000002 112.622 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.643 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.5099999999999998 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' B' ' 103' ' ' TYR . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.6299999999999999 110.693 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 2.6699999999999999 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.6000000000000001 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 1.8899999999999999 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.0800000000000001 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.55000000000000004 111.422 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.29999999999999999 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.55000000000000004 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.3 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 1.23 109.044 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 0.47999999999999998 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.47 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 0.46999999999999997 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.603 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 0.63 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 1.76 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 0.82999999999999996 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 0.52000000000000002 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.0700000000000001 110.509 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.3799999999999999 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.529 ' O ' HG13 ' B' ' 132' ' ' ILE . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.0099999999999998 110.326 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.68 -42.99 93.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.9199999999999999 110.813 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -60.05 -38.16 81.98 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-O 121.521 0.677 . . . . 2.25 109.794 176.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.3 tttt -60.66 -47.02 88.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.692 -1.14 . . . . 3.73 111.466 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.8 mt -72.34 -44.14 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.874 0.369 . . . . 2.98 111.393 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -72.6 -23.13 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.754 0.65 . . . . 3.4900000000000002 112.754 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 21.5 pttp -71.91 -28.58 63.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 3.8199999999999998 110.707 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.433 -1.204 . . . . 4.46 111.391 -175.641 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 57.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.698 0.208 . . . . 5.29 111.777 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.3 mt-10 -61.31 -30.16 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 5.1299999999999999 112.163 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -62.97 -35.09 79.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.853 0.359 . . . . 5.1900000000000004 111.122 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.671 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 60.8 tttm -86.56 -38.37 17.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.424 0.631 . . . . 6.2699999999999996 110.812 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.722 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 48.7 t80 -59.46 -37.07 77.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.887 -1.051 . . . . 3.2400000000000002 112.271 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 132' ' ' ILE . 55.0 tp -63.52 -55.3 36.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.1800000000000002 112.634 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.545 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.5099999999999998 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7000000000000002 110.085 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.6299999999999999 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.545 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 2.6699999999999999 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.6000000000000001 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.574 ' O ' ' HE1' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 1.8899999999999999 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.0800000000000001 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.409 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.55000000000000004 112.714 -174.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 0.31 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.55000000000000004 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.3 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.423 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 1.23 109.109 175.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.47999999999999998 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 0.46999999999999997 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.574 ' HE1' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 0.63 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 1.76 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 0.82999999999999996 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 0.52000000000000002 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.0700000000000001 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.3799999999999999 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 132' ' ' ILE . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.94 -40.95 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 1.9199999999999999 110.37 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 43.4 mt-10 -57.78 -42.09 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 2.25 110.232 176.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 23.0 tttm -58.69 -49.75 76.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 3.73 111.744 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.582 ' HB ' HD13 ' A' ' 104' ' ' LEU . 5.7 mt -71.9 -38.02 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.319 . . . . 2.98 111.409 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.29 -22.55 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.287 . . . . 3.4900000000000002 111.651 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 47.3 mtmt -63.93 -41.45 97.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.905 0.383 . . . . 3.8199999999999998 111.729 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.367 0 C-N-CA 119.949 -1.12 . . . . 4.46 112.47 -171.22 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.496 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 56.9 Cg_endo . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.712 0.214 . . . . 5.29 111.753 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.731 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 45.3 mt-10 -61.23 -30.18 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.56 . . . . 5.1399999999999997 112.235 -174.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -62.71 -35.16 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.882 0.372 . . . . 5.1900000000000004 111.32 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 60.7 tttm -86.68 -38.24 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.674 . . . . 6.2699999999999996 110.762 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.731 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 48.8 t80 -59.36 -37.33 77.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.946 -1.024 . . . . 3.2400000000000002 112.267 -176.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' B' ' 132' ' ' ILE . 55.5 tp -63.63 -55.24 36.01 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.1800000000000002 112.648 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.5099999999999998 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.6299999999999999 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 2.6699999999999999 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.6000000000000001 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.579 ' O ' ' HE1' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 1.8899999999999999 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.0800000000000001 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.55000000000000004 112.722 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 0.29999999999999999 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.55000000000000004 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.3 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 1.23 109.178 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 0.47999999999999998 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.47 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 0.46999999999999997 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.579 ' HE1' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 0.63 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 1.76 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 0.82999999999999996 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 0.52000000000000002 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.0700000000000001 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.3799999999999999 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 132' ' ' ILE . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.0099999999999998 110.609 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt -65.09 -41.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 1.9199999999999999 110.324 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 43.3 mt-10 -57.41 -42.15 81.73 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.297 -0.411 . . . . 2.25 110.347 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 23.2 tttm -58.88 -49.29 78.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.788 -0.642 . . . . 3.73 111.893 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.591 ' HB ' HD13 ' B' ' 104' ' ' LEU . 5.9 mt -72.41 -37.93 59.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 121.063 -0.255 . . . . 2.98 111.333 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.92 -23.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 3.4900000000000002 111.593 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 47.4 mtmt -63.52 -41.47 98.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.924 0.392 . . . . 3.8199999999999998 111.75 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.278 0 C-N-CA 119.924 -1.132 . . . . 4.46 112.554 -171.487 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.235 0.362 0 CA-C-O 121.242 0.434 . . . . 5.29 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.723 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -59.75 -28.31 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 5.1299999999999999 111.928 -178.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -61.2 -33.21 73.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 5.1900000000000004 111.688 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.62 -24.51 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.353 0.596 . . . . 6.2699999999999996 110.984 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.723 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 59.1 t80 -62.73 -30.89 71.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.495 -0.775 . . . . 3.2400000000000002 111.61 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD13 ' HB ' ' A' ' 132' ' ' ILE . 59.1 tp -65.89 -54.72 26.3 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.1800000000000002 112.178 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.5099999999999998 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7000000000000002 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 103' ' ' TYR . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.6299999999999999 111.181 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 2.6699999999999999 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.6000000000000001 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HA ' HD13 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 1.8899999999999999 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.0800000000000001 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.55000000000000004 111.965 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 0.31 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.55000000000000004 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.3 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 1.23 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 0.47999999999999998 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 0.46999999999999997 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 0.63 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 1.76 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 0.82999999999999996 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 0.52000000000000002 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.0700000000000001 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.3799999999999999 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 132' ' ' ILE . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.38 -42.31 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 1.9199999999999999 110.216 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 45.4 mt-10 -57.4 -42.19 81.78 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.755 -0.657 . . . . 2.25 109.922 174.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.62 -44.45 93.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.428 -0.806 . . . . 3.73 111.676 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.571 ' HB ' HD13 ' A' ' 104' ' ' LEU . 8.6 mt -72.24 -39.95 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.83 0.348 . . . . 2.98 110.984 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.82 -33.87 64.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.22 0.452 . . . . 3.4900000000000002 112.22 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.0 ptpt -83.66 -10.54 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 3.8199999999999998 111.355 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.686 -1.063 . . . . 4.46 112.268 178.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 121.251 0.438 . . . . 5.29 112.783 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -60.41 -28.26 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.97 -1.014 . . . . 5.1399999999999997 111.92 -178.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.702 -0.681 . . . . 5.1900000000000004 111.821 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.47 -24.33 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 6.2699999999999996 111.084 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 59.1 t80 -63.01 -31.13 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.78 . . . . 3.2400000000000002 111.497 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' B' ' 132' ' ' ILE . 59.1 tp -65.83 -54.52 28.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.1800000000000002 112.346 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.5099999999999998 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' B' ' 103' ' ' TYR . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.6299999999999999 111.234 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.663 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 2.6699999999999999 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.6000000000000001 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 1.8899999999999999 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.0800000000000001 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.55000000000000004 111.9 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.29999999999999999 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.55000000000000004 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.3 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 1.23 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 0.47999999999999998 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.47 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 0.46999999999999997 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.63 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 1.76 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 0.82999999999999996 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 0.52000000000000002 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.0700000000000001 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.3799999999999999 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.549 ' O ' HG13 ' B' ' 132' ' ' ILE . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.0099999999999998 110.801 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 104' ' ' LEU . 96.0 mt -65.63 -42.18 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 1.9199999999999999 110.118 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 45.6 mt-10 -57.41 -42.16 81.74 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.812 -0.631 . . . . 2.25 110.014 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -63.61 -44.64 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.406 -0.815 . . . . 3.73 111.656 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.559 ' HB ' HD13 ' B' ' 104' ' ' LEU . 8.5 mt -71.95 -40.34 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 2.98 110.993 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.33 -34.57 65.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 3.4900000000000002 112.097 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.0 ptpt -83.16 -10.88 58.38 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 121.056 -0.257 . . . . 3.8199999999999998 111.476 -175.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.536 -1.147 . . . . 4.46 111.994 179.075 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.458 -0.579 0 N-CA-C 111.122 -0.376 . . . . 5.29 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 2.9 mp0 -58.32 -27.41 64.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.397 -0.819 . . . . 5.1299999999999999 111.439 -174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.25 -37.79 78.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 5.1900000000000004 111.449 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 94.1 mttt -103.37 -25.01 13.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 6.2699999999999996 111.195 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.636 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 53.2 t80 -63.59 -29.55 70.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.675 -0.693 . . . . 3.2400000000000002 111.036 174.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 132' ' ' ILE . 59.8 tp -65.19 -55.38 26.56 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.1800000000000002 112.643 -177.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.5099999999999998 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7000000000000002 110.165 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 103' ' ' TYR . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.6299999999999999 110.992 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 2.6699999999999999 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.6000000000000001 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 1.8899999999999999 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.0800000000000001 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.55000000000000004 111.1 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 0.31 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.55000000000000004 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.3 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 1.23 109.265 176.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 0.47999999999999998 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.47 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 0.46999999999999997 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 0.63 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 1.76 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 0.82999999999999996 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 0.52000000000000002 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.0700000000000001 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.3799999999999999 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 132' ' ' ILE . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 104' ' ' LEU . 95.4 mt -64.06 -41.37 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 1.9199999999999999 110.224 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.731 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 51.3 mt-10 -58.48 -40.99 84.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 2.25 110.443 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.97 -45.84 90.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 3.73 111.439 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.2 mt -69.83 -41.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 2.98 111.056 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -66.23 -22.4 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.013 -0.539 . . . . 3.4900000000000002 111.734 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.731 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 67.7 mttm -64.51 -32.44 74.08 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.831 0.348 . . . . 3.8199999999999998 111.204 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 118.867 -0.963 . . . . 4.46 112.993 -170.467 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 CA-C-O 121.012 0.338 . . . . 5.29 111.243 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 2.6 mp0 -58.19 -27.37 63.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.412 -0.813 . . . . 5.1399999999999997 111.406 -174.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -59.54 -37.5 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.005 -0.543 . . . . 5.1900000000000004 111.331 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 93.7 mttt -103.52 -24.98 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.144 0.497 . . . . 6.2699999999999996 111.27 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.63 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 52.6 t80 -63.7 -29.5 70.72 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.649 -0.705 . . . . 3.2400000000000002 110.999 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' B' ' 132' ' ' ILE . 59.7 tp -65.09 -55.67 25.27 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.1800000000000002 112.414 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.5099999999999998 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.474 HD11 ' CE1' ' B' ' 103' ' ' TYR . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.6299999999999999 110.886 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 2.6699999999999999 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.6000000000000001 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.62 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 1.8899999999999999 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.0800000000000001 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.55000000000000004 111.241 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.29999999999999999 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.55000000000000004 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.3 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' ALA . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 1.23 109.328 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 0.47999999999999998 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.47 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.46999999999999997 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 0.63 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 1.76 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 0.82999999999999996 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 0.52000000000000002 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.0700000000000001 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.3799999999999999 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 132' ' ' ILE . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.0099999999999998 110.635 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.509 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt -64.07 -41.54 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 1.9199999999999999 110.165 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.72 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 51.5 mt-10 -58.32 -41.08 83.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.761 -0.654 . . . . 2.25 110.328 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.25 -45.5 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 3.73 111.357 -177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.5 mt -70.26 -40.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.457 -0.338 . . . . 2.98 111.075 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 3.4900000000000002 111.76 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.72 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 67.8 mttm -64.45 -32.13 73.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.824 0.345 . . . . 3.8199999999999998 111.484 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.746 -1.03 . . . . 4.46 112.8 -171.183 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 N-CA-C 111.27 -0.319 . . . . 5.29 111.27 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.843 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 30.0 mt-10 -63.19 -18.78 63.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.982 -0.554 . . . . 5.1299999999999999 111.068 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -57.6 -37.69 73.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 5.1900000000000004 111.171 173.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -105.42 -19.27 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 6.2699999999999996 111.467 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 60.9 t80 -64.56 -29.32 70.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.118 0.567 . . . . 3.2400000000000002 110.528 173.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 132' ' ' ILE . 66.7 tp -63.52 -55.31 36.01 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.321 -0.4 . . . . 3.1800000000000002 111.992 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.5099999999999998 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7000000000000002 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 103' ' ' TYR . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.6299999999999999 111.141 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.722 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 2.6699999999999999 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.6000000000000001 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 1.8899999999999999 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.0800000000000001 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.421 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.55000000000000004 112.32 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 0.31 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.55000000000000004 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.3 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 1.23 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 0.47999999999999998 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.47 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 0.46999999999999997 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.584 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 0.63 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 1.76 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 0.82999999999999996 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 0.52000000000000002 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.0700000000000001 110.54 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.3799999999999999 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 132' ' ' ILE . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.56 -41.59 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 1.9199999999999999 110.285 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.6 mt-10 -57.51 -40.57 79.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 2.25 110.318 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -65.57 -44.22 87.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.657 . . . . 3.73 111.377 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.4 mt -68.77 -41.69 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.929 0.395 . . . . 2.98 110.838 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 16.0 mm-40 -63.51 -40.96 98.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 3.4900000000000002 111.499 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.9 ptmm? -74.32 -39.78 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 3.8199999999999998 110.781 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.55 -1.139 . . . . 4.46 111.723 -176.878 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.46 -0.468 0 N-CA-C 111.335 -0.294 . . . . 5.29 111.335 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.87 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 30.7 mt-10 -63.25 -18.49 63.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.553 . . . . 5.1399999999999997 111.19 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -57.83 -37.22 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.505 -0.77 . . . . 5.1900000000000004 111.073 173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.79 -19.37 13.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 6.2699999999999996 111.61 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.87 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 61.2 t80 -64.14 -29.49 70.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 3.2400000000000002 110.653 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.609 HD13 ' HB ' ' B' ' 132' ' ' ILE . 66.7 tp -63.36 -55.54 34.82 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.327 -0.397 . . . . 3.1800000000000002 112.017 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.744 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.5099999999999998 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.585 HD11 ' CE2' ' B' ' 103' ' ' TYR . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.6299999999999999 111.017 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.744 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 2.6699999999999999 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.6000000000000001 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.537 ' O ' ' HE1' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 1.8899999999999999 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.0800000000000001 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.55000000000000004 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 0.29999999999999999 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.55000000000000004 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.3 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 1.23 109.138 176.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 0.47999999999999998 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.47 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 0.46999999999999997 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.581 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 1.76 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 0.82999999999999996 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 0.52000000000000002 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.0700000000000001 110.546 -176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.3799999999999999 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.491 ' O ' HG13 ' B' ' 132' ' ' ILE . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.0099999999999998 110.559 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.72 -41.63 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 1.9199999999999999 110.351 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.0 mt-10 -57.35 -40.65 78.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 2.25 110.274 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.68 -44.16 87.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.827 -0.624 . . . . 3.73 111.296 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.2 mt -68.81 -41.2 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 2.98 110.936 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 15.6 mm-40 -64.0 -41.0 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 3.4900000000000002 111.617 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.9 ptmm? -74.13 -39.88 63.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 3.8199999999999998 110.837 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.414 -1.214 . . . . 4.46 111.467 -176.523 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.94 0.308 . . . . 5.29 111.94 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.674 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -58.0 -36.26 72.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.315 -0.857 . . . . 5.1299999999999999 112.535 -169.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.93 -39.98 79.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 5.1900000000000004 111.968 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 13.5 mptt -95.14 -26.7 15.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.54 0.686 . . . . 6.2699999999999996 110.101 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.674 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 56.4 t80 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.295 1.038 . . . . 3.2400000000000002 111.31 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 132' ' ' ILE . 55.3 tp -63.28 -57.01 22.46 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.659 0.383 . . . . 3.1800000000000002 111.976 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.5099999999999998 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7000000000000002 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.6299999999999999 110.463 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 2.6699999999999999 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.6000000000000001 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 129' ' ' ILE . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 1.8899999999999999 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.0800000000000001 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.55000000000000004 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 0.31 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.55000000000000004 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.3 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.433 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 1.23 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 0.47999999999999998 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.47 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 0.46999999999999997 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.63 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 1.76 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 0.82999999999999996 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 0.52000000000000002 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.0700000000000001 110.388 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.3799999999999999 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 132' ' ' ILE . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt -65.99 -40.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 1.9199999999999999 110.171 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 45.0 mt-10 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.34 176.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.77 -44.79 84.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 3.73 111.427 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.0 mt -67.41 -40.12 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 2.98 110.716 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -74.42 -23.14 58.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.663 -0.699 . . . . 3.4900000000000002 111.916 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 57.5 mttp -72.02 -40.87 68.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.047 0.451 . . . . 3.8199999999999998 111.509 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.228 0 CA-C-O 118.553 -1.137 . . . . 4.46 112.825 -171.873 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.273 . . . . 5.29 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -58.2 -36.31 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 5.1399999999999997 112.405 -169.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -57.69 -40.32 79.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 5.1900000000000004 111.894 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 13.6 mptt -94.94 -26.85 15.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.638 0.732 . . . . 6.2699999999999996 110.055 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 55.1 t80 -62.92 -33.5 75.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.971 -1.013 . . . . 3.2400000000000002 111.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.534 HD11 HG23 ' B' ' 129' ' ' ILE . 55.4 tp -63.56 -56.67 24.38 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 122.786 0.434 . . . . 3.1800000000000002 111.937 -176.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.5099999999999998 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.6299999999999999 110.396 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.455 ' HA ' ' HB3' ' B' ' 111' ' ' LYS . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 2.6699999999999999 111.682 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.6000000000000001 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 1.8899999999999999 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.0800000000000001 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.55000000000000004 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 0.29999999999999999 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.55000000000000004 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.3 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.44 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 1.23 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 0.47999999999999998 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.47 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 0.46999999999999997 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 0.63 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 1.76 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 0.82999999999999996 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 0.52000000000000002 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.0700000000000001 110.274 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.3799999999999999 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.505 ' O ' HG13 ' B' ' 132' ' ' ILE . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.0099999999999998 110.71 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.534 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt -65.97 -40.83 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 1.9199999999999999 110.137 177.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 45.7 mt-10 -58.44 -40.5 82.72 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.521 -0.763 . . . . 2.25 110.249 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.83 -45.09 83.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 3.73 111.368 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.53 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.9 mt -67.12 -40.34 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 2.98 110.711 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -74.25 -22.97 59.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.635 . . . . 3.4900000000000002 112.088 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 57.7 mttp -72.13 -41.19 67.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.982 0.42 . . . . 3.8199999999999998 111.359 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 118.55 -1.139 . . . . 4.46 112.824 -171.792 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--O 1.235 0.333 0 CA-C-O 121.043 0.351 . . . . 5.29 111.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.727 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 33.6 mt-10 -58.86 -25.19 63.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.326 -0.852 . . . . 5.1299999999999999 111.576 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.28 -36.17 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 5.1900000000000004 110.919 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 50.4 mtpt -94.31 -30.7 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.982 0.42 . . . . 6.2699999999999996 111.023 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.727 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 74.2 t80 -62.23 -33.02 73.79 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.213 0.605 . . . . 3.2400000000000002 111.916 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 132' ' ' ILE . 61.3 tp -64.81 -55.68 26.6 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.1800000000000002 112.289 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.5099999999999998 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.65 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7000000000000002 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 103' ' ' TYR . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.6299999999999999 111.004 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.686 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 2.6699999999999999 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.6000000000000001 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.589 ' O ' ' HE1' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 1.8899999999999999 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.0800000000000001 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.55000000000000004 111.386 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 0.31 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.55000000000000004 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.3 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 0.47999999999999998 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.652 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.47 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 0.46999999999999997 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 0.63 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 1.76 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 0.82999999999999996 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 0.52000000000000002 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.0700000000000001 110.46 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.3799999999999999 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt -63.32 -42.84 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 1.9199999999999999 110.285 176.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -57.42 -39.56 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.18 0.514 . . . . 2.25 110.613 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.552 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.3 mtpt -63.21 -42.67 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.456 -0.793 . . . . 3.73 111.258 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 104' ' ' LEU . 7.8 mt -75.07 -40.71 44.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.858 -0.337 . . . . 2.98 110.944 176.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 129' ' ' ILE . 14.9 mm100 -57.73 -40.08 78.77 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.315 -0.402 . . . . 3.4900000000000002 111.698 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 131' ' ' LYS . 18.8 pttp -68.15 -26.54 65.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.292 -0.413 . . . . 3.8199999999999998 110.992 -178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.857 -0.968 . . . . 4.46 111.152 -174.712 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 121.086 0.369 . . . . 5.29 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 33.4 mt-10 -58.81 -25.19 62.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 5.1399999999999997 111.545 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.56 -36.05 79.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 5.1900000000000004 110.953 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 102' ' ' LYS . 50.6 mtpt -94.41 -30.57 14.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.922 0.391 . . . . 6.2699999999999996 111.058 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.708 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 73.8 t80 -62.58 -33.01 74.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.208 0.603 . . . . 3.2400000000000002 111.874 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.4 tp -64.42 -55.77 27.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.1800000000000002 112.295 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.7 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.5099999999999998 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.652 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.6299999999999999 111.166 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.7 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 2.6699999999999999 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.6000000000000001 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.561 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 1.8899999999999999 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.0800000000000001 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.55000000000000004 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.29999999999999999 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.55000000000000004 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.3 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.401 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 0.47999999999999998 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.47 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.708 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 0.46999999999999997 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.597 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 0.63 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 1.76 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 0.82999999999999996 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 0.52000000000000002 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.0700000000000001 110.478 -177.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.3799999999999999 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.538 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.0099999999999998 110.584 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt -63.41 -42.82 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 1.9199999999999999 110.205 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -57.58 -39.76 77.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.067 0.461 . . . . 2.25 110.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 48.0 mtpt -62.76 -42.94 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 3.73 111.392 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' B' ' 104' ' ' LEU . 7.8 mt -75.1 -40.19 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.87 0.367 . . . . 2.98 110.943 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 129' ' ' ILE . 14.7 mm100 -57.99 -40.08 79.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.184 -0.462 . . . . 3.4900000000000002 111.586 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 18.8 pttp -68.18 -26.63 65.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 3.8199999999999998 111.068 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.899 0 CA-C-O 118.767 -1.018 . . . . 4.46 111.249 -174.154 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.498 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 14.0 Cg_endo . . . . . 0 N--CA 1.451 -1.025 0 CA-C-O 121.314 0.464 . . . . 5.29 111.462 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.8 -43.63 83.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.31 -0.859 . . . . 5.1299999999999999 113.11 -160.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -88.48 -44.87 10.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.389 -0.597 . . . . 5.1900000000000004 109.389 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.767 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 60.5 tttm -57.56 -9.17 1.03 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.523 -0.762 . . . . 6.2699999999999996 112.216 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 132' ' ' ILE . 60.1 t80 -59.51 -32.75 70.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.051 -0.406 . . . . 3.2400000000000002 110.21 172.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 132' ' ' ILE . 53.8 tp -67.13 -56.9 12.09 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.886 -0.597 . . . . 3.1800000000000002 111.988 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.5099999999999998 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7000000000000002 110.006 175.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.6299999999999999 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 2.6699999999999999 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.6000000000000001 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.491 ' HA ' HD13 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 1.8899999999999999 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.0800000000000001 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.55000000000000004 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 0.31 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.55000000000000004 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.3 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.42 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 1.23 109.887 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 0.47999999999999998 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.47 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.746 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 0.46999999999999997 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.726 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 0.63 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 1.76 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 0.82999999999999996 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 0.52000000000000002 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.0700000000000001 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.3799999999999999 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 104' ' ' LEU . 93.5 mt -61.95 -42.67 95.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 1.9199999999999999 110.114 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.716 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 71.1 mt-10 -57.39 -44.0 84.14 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.146 -0.479 . . . . 2.25 110.295 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 9.3 mtpm? -58.4 -46.18 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 3.73 111.24 -176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 104' ' ' LEU . 15.7 mt -66.5 -46.65 85.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.166 -0.47 . . . . 2.98 110.764 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.51 -34.1 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.765 0.654 . . . . 3.4900000000000002 112.765 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 52.6 mttm -65.2 -28.32 69.3 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.965 0.412 . . . . 3.8199999999999998 110.884 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.211 0 CA-C-O 118.667 -1.074 . . . . 4.46 112.506 -172.805 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 13.7 Cg_endo . . . . . 0 N--CA 1.448 -1.169 0 CA-C-O 121.112 0.38 . . . . 5.29 111.377 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.09 -43.6 82.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.389 -0.823 . . . . 5.1399999999999997 113.042 -160.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -88.39 -44.99 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.341 -0.615 . . . . 5.1900000000000004 109.341 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.769 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 60.6 tttm -57.72 -9.0 1.04 Allowed 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.559 -0.746 . . . . 6.2699999999999996 112.14 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.414 ' CD1' HD11 ' B' ' 132' ' ' ILE . 60.3 t80 -59.47 -32.94 70.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 3.2400000000000002 110.305 172.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' B' ' 132' ' ' ILE . 53.1 tp -67.13 -56.85 12.21 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.794 -0.639 . . . . 3.1800000000000002 112.077 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.5099999999999998 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.769 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.6299999999999999 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.786 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 2.6699999999999999 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.6000000000000001 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.489 ' HA ' HD13 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 1.8899999999999999 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.0800000000000001 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.55000000000000004 112.591 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 0.29999999999999999 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.55000000000000004 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.3 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 1.23 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.47999999999999998 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.47 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 0.46999999999999997 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.586 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 0.63 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 1.76 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 0.82999999999999996 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 0.52000000000000002 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.0700000000000001 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.3799999999999999 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.585 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.0099999999999998 110.598 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.01 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 1.9199999999999999 109.999 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.738 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 72.0 mt-10 -57.21 -44.23 83.53 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.144 -0.48 . . . . 2.25 110.212 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 9.4 mtpm? -58.17 -46.58 85.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 3.73 111.107 -176.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.55 ' HB ' HD13 ' B' ' 104' ' ' LEU . 15.6 mt -66.33 -46.53 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.188 -0.46 . . . . 2.98 110.781 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.14 -34.71 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.816 0.672 . . . . 3.4900000000000002 112.816 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 52.6 mttm -65.19 -28.05 69.12 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.003 0.43 . . . . 3.8199999999999998 111.024 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.284 0 CA-C-O 118.737 -1.035 . . . . 4.46 112.418 -173.545 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 98.5 Cg_endo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 121.404 0.502 . . . . 5.29 112.21 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -79.23 -40.66 30.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.155 -0.93 . . . . 5.1299999999999999 112.234 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -89.38 -50.89 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.9 -0.5 . . . . 5.1900000000000004 110.642 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 99' ' ' PRO . 8.7 ttpp -57.3 -6.9 0.47 Allowed 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.49 -0.777 . . . . 6.2699999999999996 111.914 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 60.3 t80 -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.236 0.614 . . . . 3.2400000000000002 110.155 173.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 132' ' ' ILE . 60.3 tp -67.09 -56.82 12.36 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 122.894 0.478 . . . . 3.1800000000000002 111.776 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.643 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.5099999999999998 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.694 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7000000000000002 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.6299999999999999 110.88 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.643 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 2.6699999999999999 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.6000000000000001 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' A' ' 125' ' ' LEU . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 1.8899999999999999 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.0800000000000001 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.55000000000000004 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 0.31 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.55000000000000004 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.3 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.47999999999999998 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.676 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 0.46999999999999997 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 0.63 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 1.76 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 0.82999999999999996 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 0.52000000000000002 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.0700000000000001 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.3799999999999999 112.19 -176.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 104' ' ' LEU . 92.3 mt -59.61 -41.62 85.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.9199999999999999 109.875 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.7 mt-10 -57.23 -43.07 82.54 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.709 -0.678 . . . . 2.25 110.894 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 1.1 mptm? -56.13 -49.7 73.19 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.964 0.411 . . . . 3.73 110.58 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 104' ' ' LEU . 6.0 mt -67.23 -33.94 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.756 -0.656 . . . . 2.98 110.881 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 129' ' ' ILE . 17.0 mm-40 -73.76 -37.02 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.131 -0.486 . . . . 3.4900000000000002 111.692 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.777 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 52.4 mttm -74.51 -34.55 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.061 0.458 . . . . 3.8199999999999998 110.77 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 CA-C-O 118.675 -1.069 . . . . 4.46 112.8 -172.785 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.469 ' CG ' ' HB3' ' B' ' 102' ' ' LYS . 93.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.272 0.447 . . . . 5.29 112.099 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -79.59 -40.41 29.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.227 -0.897 . . . . 5.1399999999999997 112.344 -172.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -89.51 -50.53 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.153 0.501 . . . . 5.1900000000000004 110.727 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' B' ' 99' ' ' PRO . 8.7 ttpp -57.82 -7.21 0.67 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.256 -0.883 . . . . 6.2699999999999996 111.75 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' TYR . . . . . 0.491 ' O ' ' HG ' ' B' ' 107' ' ' LEU . 60.8 t80 -62.18 -30.43 71.06 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.317 0.647 . . . . 3.2400000000000002 110.255 173.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' B' ' 132' ' ' ILE . 60.4 tp -66.91 -57.06 12.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.935 0.494 . . . . 3.1800000000000002 111.615 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.5099999999999998 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.676 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.6299999999999999 110.81 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 2.6699999999999999 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.6000000000000001 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' B' ' 125' ' ' LEU . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 1.8899999999999999 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.0800000000000001 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.55000000000000004 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.29999999999999999 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.55000000000000004 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.3 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 1.23 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.47999999999999998 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.47 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.46999999999999997 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.61 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 0.63 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 0.82999999999999996 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 0.52000000000000002 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.0700000000000001 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.3799999999999999 112.359 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.0099999999999998 111.079 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 104' ' ' LEU . 91.3 mt -59.48 -41.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 1.9199999999999999 109.857 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.754 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 38.6 mt-10 -57.01 -43.12 81.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.66 -0.7 . . . . 2.25 111.018 178.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 1.1 mptm? -55.97 -49.68 72.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.906 0.384 . . . . 3.73 110.606 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' B' ' 104' ' ' LEU . 6.0 mt -67.31 -33.9 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.868 -0.606 . . . . 2.98 110.822 -178.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 129' ' ' ILE . 16.9 mm-40 -73.74 -37.22 65.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.997 -0.547 . . . . 3.4900000000000002 111.642 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.754 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 51.9 mttm -74.41 -33.99 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 3.8199999999999998 110.922 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.52 -1.155 . . . . 4.46 112.698 -173.041 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.0 tp . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.18 111.911 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.51 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7 110.046 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.63 111.0 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.712 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 2.67 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.6 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.581 ' HA ' HD13 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 1.89 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.08 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.55 111.317 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 0.31 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.55 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.3 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 1.23 109.002 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 0.48 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.47 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 0.47 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 0.63 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 1.76 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 0.83 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 0.52 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.07 110.127 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.38 112.163 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 1.92 110.349 178.038 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.5 tp . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.18 112.035 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.51 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.63 111.119 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.724 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 2.67 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.6 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 1.89 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.08 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.415 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.55 111.334 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 0.3 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.55 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.3 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 1.23 109.038 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.48 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.47 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 0.47 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.621 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 0.63 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 0.83 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 0.52 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.07 110.192 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.38 112.171 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.01 110.621 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 1.92 110.209 177.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 129' ' ' ILE . 53.9 tp . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.18 112.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.51 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7 110.341 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.63 111.101 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 2.67 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.6 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 1.89 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.08 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.468 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.55 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.31 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.581 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.55 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.3 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 0.48 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.47 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 0.47 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.846 ' HG2' HD23 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 0.63 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 1.76 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 0.83 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 0.52 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.07 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.38 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 104' ' ' LEU . 97.5 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.92 110.711 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.564 HD11 HG23 ' B' ' 129' ' ' ILE . 51.9 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.18 112.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.51 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.63 110.936 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.626 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 2.67 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.6 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 1.89 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.08 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.55 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.832 HD23 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 0.3 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.576 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.55 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.3 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 1.23 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.48 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.47 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.47 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.832 ' HG2' HD23 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 0.63 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 1.76 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 0.83 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 0.52 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.07 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.38 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.01 110.526 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.564 HG23 HD11 ' B' ' 104' ' ' LEU . 97.4 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 1.92 110.585 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 58.6 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.964 0.357 . . . . 3.18 111.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.51 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7 109.804 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.63 110.966 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 2.67 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.6 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 1.89 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.08 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.55 111.617 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 0.31 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.55 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.3 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.417 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 1.23 109.315 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 0.48 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.47 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 0.47 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 0.63 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 1.76 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 0.83 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 0.52 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.07 110.419 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.38 112.078 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 1.92 110.229 177.362 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 58.4 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.999 0.37 . . . . 3.18 111.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.83 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.51 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.63 110.959 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.83 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 2.67 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.6 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 1.89 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.08 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.417 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.55 111.748 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 0.3 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.55 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.3 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 1.23 109.286 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 0.48 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.47 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 0.47 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 0.63 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 1.76 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 0.83 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 0.52 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.07 110.257 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.38 112.217 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.01 110.799 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 1.92 110.231 177.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 129' ' ' ILE . 52.0 tp . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.007 0.373 . . . . 3.18 112.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.51 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7 109.953 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 128' ' ' GLU . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.63 111.091 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 2.67 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.6 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 1.89 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.08 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.55 112.47 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.31 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.55 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.3 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.449 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 1.23 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 0.48 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.47 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.47 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 0.63 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 1.76 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' B' ' 124' ' ' LEU . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.83 110.776 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 0.52 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.07 110.496 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.38 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HG3' ' CD1' ' A' ' 107' ' ' LEU . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 1.92 110.29 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.43 HD11 HG23 ' B' ' 129' ' ' ILE . 52.5 tp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.029 0.381 . . . . 3.18 112.029 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.51 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.63 111.026 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 2.67 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.6 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 1.89 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.08 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.55 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 0.3 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.55 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.3 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.429 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 1.23 109.038 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 0.48 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.47 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 0.47 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.618 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 0.63 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 1.76 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 0.83 110.713 -177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 0.52 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.466 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.38 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.01 110.346 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 1.92 110.327 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 HG23 ' A' ' 129' ' ' ILE . 58.2 tp . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.18 112.376 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.51 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7 110.296 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.63 111.248 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 2.67 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.6 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 125' ' ' LEU . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 1.89 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.08 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.55 112.631 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 0.31 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.55 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.3 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 1.23 109.44 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 0.48 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.47 111.19 -174.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.47 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 0.63 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 1.76 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 0.83 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 0.52 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.07 110.234 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.38 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.563 HD12 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 1.92 110.534 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.438 HD11 HG23 ' B' ' 129' ' ' ILE . 58.3 tp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.18 112.529 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.51 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.63 111.205 -179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 2.67 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.6 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.602 ' HA ' HD13 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 1.89 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.08 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.55 112.649 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 0.3 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.55 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.3 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 1.23 109.53 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 0.48 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.47 111.087 -173.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 0.47 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 0.63 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 1.76 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 0.83 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 0.52 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.07 110.228 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.38 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.01 110.97 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.547 HD12 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 1.92 110.477 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 62.4 tp . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.18 112.347 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.51 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7 110.156 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.63 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 2.67 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.6 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 1.89 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.08 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.55 111.339 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 0.31 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.55 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.3 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 1.23 109.317 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 0.48 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.47 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 0.47 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 0.63 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 1.76 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 0.83 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 0.52 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.07 110.393 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.38 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 1.92 110.07 178.093 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.7 tp . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.18 112.252 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.684 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.51 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.63 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.684 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 2.67 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.6 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 1.89 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.55 111.291 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 0.3 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.55 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.3 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 1.23 109.321 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 0.48 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.47 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 0.47 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 0.63 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 1.76 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 0.83 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.52 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.07 110.433 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.38 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.01 110.459 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.92 110.265 177.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 65.7 tp . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.18 112.467 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.51 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7 110.185 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.63 110.806 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 2.67 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.6 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' O ' ' HE1' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 1.89 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.08 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.442 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.55 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.31 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.55 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.3 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 1.23 109.299 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 0.48 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.47 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 0.47 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.674 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 0.63 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 1.76 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 0.83 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 0.52 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.07 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.38 111.957 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 1.92 110.079 176.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 65.2 tp . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.18 112.322 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.667 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.51 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.63 110.872 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.667 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 2.67 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.6 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.592 ' O ' ' HE1' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 1.89 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.08 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.55 112.566 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 0.3 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.55 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.3 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.442 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 1.23 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.48 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.47 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.47 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 0.63 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 1.76 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 0.83 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 0.52 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.07 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.38 111.978 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.01 110.912 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 1.92 110.126 176.831 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 129' ' ' ILE . 59.5 tp . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.18 112.472 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.51 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7 110.178 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.63 111.124 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.624 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 2.67 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.6 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HA ' HD13 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 1.89 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.08 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.55 112.334 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 0.31 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.55 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.3 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.47 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 0.47 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.604 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 0.63 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 1.76 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 0.83 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 0.52 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.07 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.38 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 104' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 1.92 110.067 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.562 HD11 HG23 ' B' ' 129' ' ' ILE . 59.4 tp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.18 112.559 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.51 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.63 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.634 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 2.67 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.6 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 1.89 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.08 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.55 112.503 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 0.3 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.55 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.3 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 1.23 109.514 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 0.48 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.47 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.47 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 1.76 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 0.83 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.52 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.07 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.38 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.01 110.549 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.562 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 1.92 110.182 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 129' ' ' ILE . 64.6 tp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.18 112.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.51 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7 110.408 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.63 111.184 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.6 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.592 ' HA ' HD13 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 1.89 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.08 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.55 111.156 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.31 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.55 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.3 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 1.23 109.771 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 0.48 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 0.47 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 0.63 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 1.76 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 0.83 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 0.52 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.07 110.238 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.38 112.111 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 104' ' ' LEU . 93.0 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 1.92 110.526 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.456 HD11 HG23 ' B' ' 129' ' ' ILE . 65.1 tp . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.18 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.51 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.63 111.24 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.563 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 2.67 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.6 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 1.89 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.08 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.55 111.169 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 0.3 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.55 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.3 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 1.23 109.801 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 0.48 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.47 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.705 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 0.47 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.6 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 0.63 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.76 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 0.83 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 0.52 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.07 110.194 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.38 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.01 110.583 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.456 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 1.92 110.579 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 57.3 tp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.18 111.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.68 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.51 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7 109.505 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.63 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 2.67 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.6 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 1.89 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.08 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.435 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.55 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 0.31 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.55 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.3 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 1.23 108.746 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 0.48 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.553 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.47 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 0.47 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 0.63 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 1.76 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 0.83 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.52 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.07 110.317 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.38 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HD2' ' A' ' 111' ' ' LYS . 95.8 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 1.92 110.218 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 56.5 tp . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.18 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.51 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.63 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 2.67 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.6 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 1.89 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.08 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.55 111.418 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 0.3 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.55 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.3 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 1.23 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 0.48 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 0.47 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 0.63 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 1.76 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 0.83 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.52 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.07 110.434 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.38 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.01 110.419 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.415 HD12 ' HD2' ' B' ' 111' ' ' LYS . 95.8 mt . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 1.92 110.131 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 129' ' ' ILE . 53.7 tp . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 112.22 0.452 . . . . 3.18 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.774 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.51 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.63 110.984 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.774 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 2.67 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.6 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HA ' HD13 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 1.89 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.08 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.55 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.31 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.734 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.55 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.3 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 1.23 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 0.48 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.47 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 0.47 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 0.63 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 1.76 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 0.83 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.52 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.07 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.38 112.414 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 104' ' ' LEU . 92.8 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 1.92 110.028 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 129' ' ' ILE . 54.2 tp . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.306 0.484 . . . . 3.18 112.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.788 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.51 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.63 111.21 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.788 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.6 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 1.89 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.08 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.55 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.3 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.55 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.3 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 1.23 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.48 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.47 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 0.47 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 0.63 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 1.76 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 0.83 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 0.52 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.07 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.38 112.325 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.01 110.854 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 104' ' ' LEU . 93.4 mt . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 1.92 109.872 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 48.9 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.608 0.596 . . . . 3.18 112.608 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.63 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.51 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.63 110.814 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 2.67 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.6 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 1.89 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.411 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.55 111.44 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 0.31 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.55 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.3 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 1.23 109.078 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.48 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.47 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 0.47 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 0.63 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 1.76 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 0.83 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.52 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.07 110.418 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.38 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.92 110.754 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 46.7 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.622 0.601 . . . . 3.18 112.622 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.643 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.51 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.63 110.693 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 2.67 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.6 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 1.89 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.08 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.55 111.422 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.3 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.55 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.3 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 1.23 109.044 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 0.48 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.47 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 0.47 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.603 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 0.63 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 1.76 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 0.83 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 0.52 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.07 110.509 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.38 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.01 110.326 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.92 110.813 176.331 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 55.0 tp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.18 112.634 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.545 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.51 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7 110.085 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 104' ' ' LEU . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.63 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.545 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.6 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.574 ' O ' ' HE1' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 1.89 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.08 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.409 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.55 112.714 -174.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 0.31 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.55 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.3 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.423 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 1.23 109.109 175.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.48 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 0.47 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.574 ' HE1' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 0.63 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 1.76 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 0.83 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 0.52 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.07 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.38 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 1.92 110.37 177.436 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 55.5 tp . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.18 112.648 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.51 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' B' ' 104' ' ' LEU . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.63 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 2.67 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.6 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.579 ' O ' ' HE1' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 1.89 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.08 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.55 112.722 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 0.3 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.55 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.3 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 1.23 109.178 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 0.48 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.47 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 0.47 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.579 ' HE1' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 0.63 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 1.76 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 0.83 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 0.52 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.07 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.38 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.01 110.609 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 1.92 110.324 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.18 112.178 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.51 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.63 111.181 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 2.67 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.6 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HA ' HD13 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 1.89 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.08 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.55 111.965 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 0.31 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.55 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.3 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 1.23 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 0.48 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 0.47 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 0.63 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 1.76 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 0.83 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 0.52 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.07 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.38 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.216 177.13 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 59.1 tp . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.18 112.346 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.51 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.63 111.234 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.663 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 2.67 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.6 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 1.89 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.08 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.55 111.9 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.3 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.55 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.3 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 1.23 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 0.48 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.47 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 0.47 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.63 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 1.76 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 0.83 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 0.52 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.07 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.38 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.01 110.801 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 104' ' ' LEU . 96.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 1.92 110.118 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.5 HD11 HG23 ' A' ' 129' ' ' ILE . 59.8 tp . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.18 112.643 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.51 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7 110.165 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.63 110.992 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 2.67 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.6 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 1.89 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.08 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.55 111.1 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 0.31 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.55 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.3 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 1.23 109.265 176.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 0.48 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.47 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 0.47 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 0.63 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 1.76 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 0.83 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 0.52 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.07 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.38 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 104' ' ' LEU . 95.4 mt . . . . . 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 1.92 110.224 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.509 HD11 HG23 ' B' ' 129' ' ' ILE . 59.7 tp . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.18 112.414 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.51 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.63 110.886 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 2.67 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.6 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.62 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 1.89 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.08 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.55 111.241 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.3 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.55 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.3 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' ALA . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 1.23 109.328 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 0.48 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.47 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.47 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 0.63 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 1.76 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 0.83 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 0.52 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.07 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.38 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.01 110.635 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.509 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 1.92 110.165 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.992 0.367 . . . . 3.18 111.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.51 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.63 111.141 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.722 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 2.67 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.6 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 1.89 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.08 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.421 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.55 112.32 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 0.31 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.55 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.3 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 1.23 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 0.48 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.47 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 0.47 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.584 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 0.63 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 1.76 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 0.83 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 0.52 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.07 110.54 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.38 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 1.92 110.285 177.702 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 66.7 tp . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.017 0.377 . . . . 3.18 112.017 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.744 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.51 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.63 111.017 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.744 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 2.67 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.6 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.537 ' O ' ' HE1' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 1.89 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.08 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.55 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 0.3 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.55 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.3 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 1.23 109.138 176.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 0.48 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.47 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 0.47 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.581 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 1.76 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 0.83 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 0.52 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.07 110.546 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.38 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.01 110.559 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 1.92 110.351 177.795 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 129' ' ' ILE . 55.3 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 111.976 0.361 . . . . 3.18 111.976 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.51 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.63 110.463 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 2.67 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.6 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 129' ' ' ILE . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 1.89 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.08 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.55 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 0.31 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.55 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.3 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.433 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 1.23 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 0.48 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.47 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 0.47 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.63 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 1.76 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 0.83 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 0.52 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.07 110.388 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.38 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 1.92 110.171 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.534 HD11 HG23 ' B' ' 129' ' ' ILE . 55.4 tp . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 111.937 0.347 . . . . 3.18 111.937 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.51 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.63 110.396 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.455 ' HA ' ' HB3' ' B' ' 111' ' ' LYS . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 2.67 111.682 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.6 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 1.89 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.08 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.55 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 0.3 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.55 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.3 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.44 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 1.23 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 0.48 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.47 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 0.47 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 0.63 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 1.76 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 0.83 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 0.52 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.274 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.38 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.01 110.71 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.534 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 1.92 110.137 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 61.3 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.18 112.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.51 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.65 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.63 111.004 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.686 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 2.67 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.6 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.589 ' O ' ' HE1' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 1.89 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.08 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.55 111.386 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 0.31 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.55 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.3 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 0.48 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.652 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.47 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 0.47 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 0.63 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 1.76 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 0.83 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 0.52 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.07 110.46 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.38 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 1.92 110.285 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.43 ' N ' ' HD2' ' B' ' 105' ' ' PRO . 61.4 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.18 112.295 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.7 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.51 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.652 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.63 111.166 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.7 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 2.67 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.6 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.561 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 1.89 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.08 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.55 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.3 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.55 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.3 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.401 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 0.48 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.47 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.708 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 0.47 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.597 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 0.63 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 1.76 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 0.83 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 0.52 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.07 110.478 -177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.38 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.01 110.584 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 1.92 110.205 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 129' ' ' ILE . 53.8 tp . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 111.988 0.366 . . . . 3.18 111.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.51 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7 110.006 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.63 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 2.67 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.6 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.491 ' HA ' HD13 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 1.89 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.08 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.55 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 0.31 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.55 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.3 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.42 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 1.23 109.887 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 0.48 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.47 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.746 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 0.47 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.726 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 0.63 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 1.76 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 0.83 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 0.52 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.07 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.38 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 104' ' ' LEU . 93.5 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 1.92 110.114 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.077 0.399 . . . . 3.18 112.077 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.51 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.63 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.786 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 2.67 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.6 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.489 ' HA ' HD13 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 1.89 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.08 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.55 112.591 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 0.3 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.55 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.3 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 1.23 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.47 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 0.47 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.586 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 0.63 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 1.76 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 0.83 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 0.52 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.07 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.38 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.01 110.598 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 1.92 109.999 176.439 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 129' ' ' ILE . 60.3 tp . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.776 0.287 . . . . 3.18 111.776 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.643 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.51 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.694 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.63 110.88 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.643 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 2.67 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.6 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' A' ' 125' ' ' LEU . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 1.89 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.08 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.55 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 0.31 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.55 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.3 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.48 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.676 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 0.47 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 0.63 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 1.76 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 0.83 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 0.52 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.07 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.38 112.19 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 128' ' ' GLU . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 104' ' ' LEU . 92.3 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.92 109.875 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.481 HD11 HG23 ' B' ' 129' ' ' ILE . 60.4 tp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 111.615 0.228 . . . . 3.18 111.615 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.51 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.676 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.63 110.81 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 2.67 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.6 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' B' ' 125' ' ' LEU . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 1.89 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.08 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.55 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.3 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.55 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.3 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 1.23 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.48 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.47 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.47 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.61 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 0.63 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 0.83 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 0.52 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.07 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.38 112.359 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.01 111.079 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 104' ' ' LEU . 91.3 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 1.92 109.857 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 CA-C-O 121.274 0.448 . . . . 5.29 113.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 13.6 mm-40 -58.46 -39.64 80.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.391 -1.277 . . . . 5.13 111.611 -173.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -37.37 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.834 -0.621 . . . . 5.19 111.675 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 20.8 ttpt -93.94 -29.44 15.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 6.27 110.608 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 132' ' ' ILE . 39.8 t80 -62.31 -35.39 78.92 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.488 0.715 . . . . 3.24 111.776 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 132' ' ' ILE . 61.0 tp -63.1 -53.89 50.65 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.911 0.337 . . . . 3.18 111.911 -176.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.2 Cg_endo -62.89 -28.6 75.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.062 1.842 . . . . 3.51 112.244 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 56.6 mt-10 -62.5 -45.59 92.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 3.7 110.046 174.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 103' ' ' TYR . 93.0 mt -62.69 -45.79 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 1.63 111.0 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.712 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.4 ptp -64.57 -36.24 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 2.67 110.993 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.28 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.888 -0.325 . . . . 1.6 110.966 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 58.9 mt-10 -64.84 -42.64 94.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.474 0.654 . . . . 1.49 109.79 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.581 ' HA ' HD13 ' A' ' 125' ' ' LEU . 21.3 tttm -56.11 -53.38 57.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.215 -1.357 . . . . 1.89 111.371 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.07 -9.05 58.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 111.865 0.32 . . . . 3.08 111.865 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 38.1 m -103.7 -18.14 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 0.55 111.317 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' B' ' 114' ' ' LEU . 8.3 tp -74.15 143.65 45.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.076 -0.511 . . . . 0.31 110.3 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.1 132.55 82.35 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.668 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.44 -16.34 53.98 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.485 2.79 . . . . 0.55 113.179 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.7 t -63.33 -20.47 65.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.681 0.276 . . . . 1.3 110.579 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.84 82.82 4.3 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.002 -0.74 . . . . 1.23 109.002 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -58.86 -51.5 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.516 -0.766 . . . . 0.48 112.108 -174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -70.25 -41.17 73.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.531 -0.304 . . . . 1.47 111.206 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.721 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.04 -41.19 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.514 0.673 . . . . 0.47 110.53 175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -37.38 73.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.06 -0.973 . . . . 0.63 110.714 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.43 -43.15 77.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 1.76 111.123 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.66 -35.89 79.71 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.857 -0.337 . . . . 0.83 111.05 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.5 mt -64.85 -38.81 92.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.088 0.47 . . . . 0.52 109.768 175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.521 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 87.3 m -65.82 -47.07 76.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.334 -0.848 . . . . 1.07 110.127 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.03 -45.35 92.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 1.38 112.163 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.0 -38.4 85.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.159 0.504 . . . . 2.02 110.69 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.65 -41.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.808 -0.633 . . . . 1.92 110.349 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 126' ' ' THR . 51.3 mt-10 -57.82 -40.53 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 2.25 110.713 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 56.2 mttm -66.14 -42.75 88.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 3.73 111.239 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.581 ' HB ' HD13 ' A' ' 104' ' ' LEU . 13.7 mt -69.63 -41.49 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.786 0.327 . . . . 2.98 110.6 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 104' ' ' LEU . 77.3 mm-40 -58.9 -42.5 89.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 3.49 111.421 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.8 ptmm? -79.47 -37.64 36.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.414 -0.357 . . . . 3.82 110.959 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.462 -1.188 . . . . 4.46 111.551 -177.155 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.461 -0.413 0 CA-C-O 121.378 0.491 . . . . 5.29 112.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 12.1 mm-40 -58.6 -39.59 80.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.458 -1.246 . . . . 5.14 111.722 -173.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -37.93 79.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 5.19 111.854 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 20.9 ttpt -93.61 -29.53 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.953 0.406 . . . . 6.27 110.585 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.488 ' CD2' HD11 ' B' ' 132' ' ' ILE . 38.8 t80 -62.19 -35.67 79.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.562 0.745 . . . . 3.24 111.669 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.5 tp -62.93 -53.87 51.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.035 0.383 . . . . 3.18 112.035 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.9 Cg_endo -62.91 -28.69 75.49 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.911 1.741 . . . . 3.51 112.042 177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 56.1 mt-10 -62.54 -45.49 92.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.066 0.46 . . . . 3.71 110.048 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' B' ' 103' ' ' TYR . 93.1 mt -62.67 -45.81 91.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.548 -0.751 . . . . 1.63 111.119 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.724 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -64.51 -36.03 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.454 . . . . 2.67 111.223 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.05 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.731 -0.388 . . . . 1.6 111.056 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.0 mt-10 -64.93 -42.45 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.521 0.677 . . . . 1.49 109.686 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' B' ' 125' ' ' LEU . 21.2 tttm -56.22 -53.22 59.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.244 -1.344 . . . . 1.89 111.501 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.57 -8.53 57.97 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.909 0.337 . . . . 3.08 111.909 -173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.415 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 39.9 m -103.92 -18.24 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.006 0.431 . . . . 0.55 111.334 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.965 HD11 HD11 ' A' ' 114' ' ' LEU . 8.3 tp -73.82 143.61 45.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.017 -0.538 . . . . 0.3 110.353 -175.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.18 132.92 81.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.594 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.65 -16.35 54.18 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.442 2.761 . . . . 0.55 113.3 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 31.8 t -63.23 -20.55 65.54 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.794 0.33 . . . . 1.3 110.401 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.42 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 56.2 m-85 -93.71 82.74 4.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.038 -0.727 . . . . 1.23 109.038 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.2 m -58.86 -51.82 68.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.711 -0.677 . . . . 0.48 111.906 -174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -69.84 -41.33 75.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.435 -0.348 . . . . 1.47 111.153 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.93 -41.33 87.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.499 0.666 . . . . 0.47 110.501 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.621 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.53 -37.41 74.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.913 -1.039 . . . . 0.63 110.738 178.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.37 -43.45 77.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.031 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.47 -35.95 80.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.895 -0.322 . . . . 0.83 111.18 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.7 mt -64.84 -38.61 91.55 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.751 -0.463 . . . . 0.52 109.751 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 85.9 m -65.98 -47.05 75.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.471 -0.786 . . . . 1.07 110.192 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.96 -45.4 92.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.237 -0.892 . . . . 1.38 112.171 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.15 -38.35 86.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.117 0.484 . . . . 2.01 110.621 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.38 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 1.92 110.209 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 126' ' ' THR . 51.4 mt-10 -57.79 -40.42 79.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 2.25 110.746 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 56.2 mttm -66.11 -42.93 88.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.908 -0.587 . . . . 3.73 111.124 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.7 mt -69.38 -41.3 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 2.98 110.745 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.402 HE21 HD11 ' B' ' 104' ' ' LEU . 77.5 mm-40 -59.23 -42.36 90.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.94 -0.573 . . . . 3.49 111.137 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.7 ptmm? -79.43 -38.49 34.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.482 -0.326 . . . . 3.82 110.937 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 118.678 -1.068 . . . . 4.46 111.751 -177.403 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.345 -0.29 . . . . 5.29 111.345 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 5.7 mm-40 -59.02 -25.16 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 5.13 110.875 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -33.9 76.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.529 -0.76 . . . . 5.19 111.115 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 58.4 mtpt -98.9 -27.96 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 6.27 111.067 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.632 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 50.6 t80 -63.1 -31.04 72.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.243 0.617 . . . . 3.24 111.416 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' HB ' ' A' ' 132' ' ' ILE . 53.9 tp -65.22 -54.89 29.48 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.541 0.571 . . . . 3.18 112.541 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.18 -29.27 86.52 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.067 1.845 . . . . 3.51 112.083 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.7 mt-10 -62.42 -44.92 95.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.088 0.471 . . . . 3.7 110.341 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 103' ' ' TYR . 87.7 mt -62.46 -45.66 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 1.63 111.101 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -65.15 -34.17 77.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 2.67 111.376 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.68 64.28 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.954 -0.298 . . . . 1.6 111.033 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.9 mt-10 -65.1 -39.41 93.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.606 0.717 . . . . 1.49 109.445 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 125' ' ' LEU . 53.6 tttt -60.77 -49.05 79.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.273 -1.33 . . . . 1.89 110.963 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.01 -30.45 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.836 0.35 . . . . 3.08 111.606 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.468 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 50.5 m -91.18 -22.59 20.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.285 0.476 . . . . 0.55 112.285 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 122' ' ' MET . 5.2 tp -68.3 143.2 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.31 110.519 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.24 134.76 66.73 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.564 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.581 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 36.5 Cg_endo -61.73 -16.9 51.67 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.637 2.891 . . . . 0.55 113.746 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.1 p -62.16 -21.15 64.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.947 0.404 . . . . 1.3 111.196 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' A' ' 122' ' ' MET . 40.0 m-85 -95.15 83.81 3.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.8 m -58.67 -54.1 50.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.814 -0.63 . . . . 0.48 112.072 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -70.14 -39.64 75.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.459 -0.337 . . . . 1.47 111.333 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.335 0.588 . . . . 0.47 110.514 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.846 ' HG2' HD23 ' A' ' 114' ' ' LEU . 5.1 mtp -71.82 -33.66 68.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.206 -0.906 . . . . 0.63 110.628 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.49 -46.05 70.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.373 -0.83 . . . . 1.76 111.371 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.37 -35.47 79.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.758 0.313 . . . . 0.83 110.97 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.0 mt -63.36 -38.2 90.23 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.481 -0.563 . . . . 0.52 109.481 175.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 37.5 m -69.53 -45.07 69.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.523 -0.762 . . . . 1.07 110.753 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.11 96.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.63 . . . . 1.38 111.842 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.546 ' O ' HG13 ' A' ' 132' ' ' ILE . 35.8 tp10 -62.24 -36.45 82.03 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.134 0.492 . . . . 2.02 110.632 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 104' ' ' LEU . 97.5 mt -64.9 -42.58 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.92 110.711 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.46 -37.97 76.56 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.805 0.812 . . . . 2.25 109.892 175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 75.8 tttt -63.9 -48.94 74.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.496 -1.229 . . . . 3.73 111.543 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.58 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.2 mt -70.87 -40.09 76.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.909 0.385 . . . . 2.98 111.336 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.02 -28.69 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.16 -0.473 . . . . 3.49 112.04 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.44 -23.7 50.45 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.507 -0.477 . . . . 3.82 110.671 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.484 -1.176 . . . . 4.46 111.809 179.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.46 -0.465 0 N-CA-C 111.233 -0.334 . . . . 5.29 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.609 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 6.1 mm-40 -58.95 -25.34 63.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 5.14 110.825 -176.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -33.57 75.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.444 -0.798 . . . . 5.19 111.305 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 58.4 mtpt -99.25 -28.14 13.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 6.27 110.839 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.609 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 50.7 t80 -62.82 -31.19 72.14 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 123.294 0.638 . . . . 3.24 111.462 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' B' ' 132' ' ' ILE . 51.9 tp -65.2 -54.93 29.37 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.356 0.502 . . . . 3.18 112.356 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.24 -29.35 86.34 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.081 1.854 . . . . 3.51 112.128 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 20.1 mt-10 -62.46 -44.58 96.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.261 0.553 . . . . 3.71 110.331 174.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' B' ' 103' ' ' TYR . 87.7 mt -62.85 -45.38 92.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.442 -0.799 . . . . 1.63 110.936 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.626 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.5 ptp -65.42 -34.16 77.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 2.67 111.255 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.3 65.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 1.6 111.041 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.7 mt-10 -65.58 -39.28 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.578 0.704 . . . . 1.49 109.294 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 125' ' ' LEU . 54.2 tttt -60.82 -49.09 78.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.301 -1.318 . . . . 1.89 110.886 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.01 -30.39 71.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.907 0.384 . . . . 3.08 111.577 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.8 m -91.24 -22.48 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.25 0.463 . . . . 0.55 112.25 -174.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.832 HD23 ' HG2' ' B' ' 122' ' ' MET . 5.3 tp -68.28 143.38 55.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 0.3 110.522 -175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.59 134.76 65.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 1.23 110.527 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.576 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 37.1 Cg_endo -61.66 -16.75 50.38 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.656 2.904 . . . . 0.55 113.898 -174.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 p -62.34 -20.86 64.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.402 . . . . 1.3 111.173 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' B' ' 122' ' ' MET . 40.7 m-85 -95.64 83.98 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 1.23 109.278 176.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 89.6 m -59.04 -53.8 54.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.48 111.948 -174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -70.23 -39.48 75.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.46 -0.336 . . . . 1.47 111.338 -173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.88 -42.66 90.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.358 0.599 . . . . 0.47 110.444 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.832 ' HG2' HD23 ' B' ' 114' ' ' LEU . 5.1 mtp -72.0 -33.45 68.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.173 -0.921 . . . . 0.63 110.631 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.67 -45.94 70.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.444 -0.798 . . . . 1.76 111.192 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 40.9 mt -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.782 0.325 . . . . 0.83 110.807 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.1 mt -63.16 -38.24 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.477 -0.564 . . . . 0.52 109.477 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 37.7 m -69.52 -45.11 69.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.446 -0.797 . . . . 1.07 110.696 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.14 96.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 1.38 111.881 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.54 ' O ' HG13 ' B' ' 132' ' ' ILE . 36.3 tp10 -62.46 -36.36 82.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 2.01 110.526 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.564 HG23 HD11 ' B' ' 104' ' ' LEU . 97.4 mt -64.62 -42.61 95.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 1.92 110.585 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.66 -37.73 76.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.782 0.801 . . . . 2.25 109.867 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 76.0 tttt -64.06 -48.62 75.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.536 -1.211 . . . . 3.73 111.73 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' B' ' 104' ' ' LEU . 9.2 mt -71.46 -39.65 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.95 0.405 . . . . 2.98 111.189 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.15 -28.86 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 3.49 112.071 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -77.26 -23.59 51.22 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.521 -0.472 . . . . 3.82 110.649 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.413 -1.215 . . . . 4.46 111.844 178.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 102' ' ' LYS . 28.5 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 N-CA-C 111.079 -0.393 . . . . 5.29 111.079 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.05 -21.56 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.387 -0.824 . . . . 5.13 112.371 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.71 -38.27 18.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 5.19 109.44 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 99' ' ' PRO . 66.6 tttt -64.18 0.1 1.05 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.967 -0.56 . . . . 6.27 111.878 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 107' ' ' LEU . 62.8 t80 -63.36 -28.46 70.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.157 0.583 . . . . 3.24 110.049 167.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.637 HD13 ' HB ' ' A' ' 132' ' ' ILE . 58.6 tp -65.03 -55.4 27.35 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.366 -0.834 . . . . 3.18 111.964 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.6 Cg_endo -61.72 -27.87 81.48 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.304 2.003 . . . . 3.51 112.305 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 8.5 mm-40 -61.36 -45.98 92.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.18 0.514 . . . . 3.7 109.804 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 103' ' ' TYR . 94.2 mt -63.52 -45.27 91.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.23 -0.896 . . . . 1.63 110.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 18.8 ptp -65.11 -36.22 83.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 2.67 111.201 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.33 67.05 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 1.6 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.41 -39.48 92.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.599 0.714 . . . . 1.49 109.419 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.5 tttm -57.8 -53.16 61.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.116 -1.402 . . . . 1.89 111.442 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.68 -16.5 60.76 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.967 0.358 . . . . 3.08 111.967 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.1 m -98.81 -16.85 18.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.785 0.326 . . . . 0.55 111.617 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -74.64 144.26 43.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.295 -0.411 . . . . 0.31 110.447 -176.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.47 129.09 86.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.692 -0.685 . . . . 1.23 110.245 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.78 -16.25 47.69 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.546 2.831 . . . . 0.55 113.22 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.9 m -60.89 -21.55 63.43 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.113 0.482 . . . . 1.3 110.74 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.417 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 57.7 m-85 -95.06 85.37 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.315 -0.624 . . . . 1.23 109.315 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.9 m -57.32 -54.97 40.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.613 -0.721 . . . . 0.48 112.176 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -70.34 -39.86 74.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.753 -0.203 . . . . 1.47 111.341 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.97 -41.12 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.489 0.661 . . . . 0.47 110.403 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.77 -38.63 73.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.036 -0.984 . . . . 0.63 110.909 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.03 -42.82 75.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.321 -0.854 . . . . 1.76 111.694 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.09 -36.13 81.32 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.927 -0.309 . . . . 0.83 110.758 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.9 mt -63.56 -38.29 90.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.272 0.558 . . . . 0.52 109.503 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.412 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 91.2 m -67.32 -46.98 71.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.324 -0.853 . . . . 1.07 110.419 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -62.68 -44.89 95.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.426 -0.806 . . . . 1.38 112.078 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 132' ' ' ILE . 32.0 tp10 -61.76 -37.03 82.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.067 0.461 . . . . 2.02 110.845 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.53 -41.14 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.622 -0.717 . . . . 1.92 110.229 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 126' ' ' THR . 43.4 mt-10 -58.55 -39.93 81.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 2.25 110.763 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 127' ' ' ALA . 92.7 mttt -60.88 -43.53 98.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.017 -0.538 . . . . 3.73 111.017 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.637 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.8 mt -72.18 -44.78 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.279 -0.419 . . . . 2.98 110.744 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -61.7 -36.11 79.96 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.468 0.544 . . . . 3.49 112.468 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -67.25 -31.69 72.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 3.82 110.926 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.078 0 CA-C-O 118.646 -1.085 . . . . 4.46 111.405 -174.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' B' ' 102' ' ' LYS . 28.1 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 N-CA-C 111.052 -0.403 . . . . 5.29 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.57 -21.12 64.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.398 -0.819 . . . . 5.14 112.209 -169.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.58 -38.38 18.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.575 -0.528 . . . . 5.19 109.575 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.458 ' CB ' ' HG2' ' B' ' 99' ' ' PRO . 67.7 tttt -64.55 -0.06 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.926 -0.579 . . . . 6.27 111.804 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' B' ' 107' ' ' LEU . 63.4 t80 -62.95 -28.56 70.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 123.107 0.563 . . . . 3.24 110.042 167.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.645 HD13 ' HB ' ' B' ' 132' ' ' ILE . 58.4 tp -64.95 -55.48 27.18 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 115.436 -0.802 . . . . 3.18 111.999 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.83 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.68 -27.79 81.64 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.221 1.947 . . . . 3.51 112.388 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 7.9 mm-40 -61.42 -45.95 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.269 0.557 . . . . 3.71 109.853 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' B' ' 103' ' ' TYR . 94.4 mt -63.44 -45.3 91.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 1.63 110.959 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.83 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 18.9 ptp -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.437 -0.347 . . . . 2.67 111.147 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.18 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 1.6 111.048 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.5 mt-10 -65.54 -39.4 91.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.761 . . . . 1.49 109.333 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.9 tttm -57.88 -53.19 61.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.138 -1.392 . . . . 1.89 111.384 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.52 -17.08 60.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.571 -0.286 . . . . 3.08 111.696 -173.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.417 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 49.9 m -98.58 -16.27 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.862 0.363 . . . . 0.55 111.748 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.897 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -75.27 144.13 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.247 -0.433 . . . . 0.3 110.485 -176.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -73.67 129.04 85.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.77 -0.65 . . . . 1.23 110.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.82 -16.14 47.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.694 2.929 . . . . 0.55 113.209 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 m -60.73 -21.66 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.887 0.375 . . . . 1.3 110.639 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 55.1 m-85 -95.07 85.4 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.286 -0.635 . . . . 1.23 109.286 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -57.5 -54.62 44.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.7 . . . . 0.48 112.151 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.4 -39.97 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.816 -0.175 . . . . 1.47 111.272 -174.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -41.05 86.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.485 0.659 . . . . 0.47 110.276 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.78 -38.79 73.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.016 -0.993 . . . . 0.63 110.888 177.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.1 -42.62 75.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.313 -0.858 . . . . 1.76 111.553 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.23 -36.16 81.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.934 -0.307 . . . . 0.83 110.791 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 21.3 mt -63.44 -38.5 91.4 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.546 -0.538 . . . . 0.52 109.546 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 96.2 m -67.21 -47.04 72.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.455 -0.793 . . . . 1.07 110.257 -177.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 131' ' ' LYS . . . -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.354 -0.839 . . . . 1.38 112.217 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.454 ' O ' HG13 ' B' ' 132' ' ' ILE . 33.4 tp10 -61.79 -37.11 83.13 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.034 0.445 . . . . 2.01 110.799 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -41.42 92.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.641 -0.708 . . . . 1.92 110.231 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 126' ' ' THR . 43.6 mt-10 -58.37 -39.83 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 2.25 110.87 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 127' ' ' ALA . 92.3 mttt -60.99 -43.49 98.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.971 -0.558 . . . . 3.73 111.003 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.645 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -72.17 -44.53 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.353 -0.385 . . . . 2.98 110.737 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -61.86 -36.28 80.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.018 -0.537 . . . . 3.49 112.263 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -67.26 -31.45 71.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.729 0.3 . . . . 3.82 111.057 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.597 -1.113 . . . . 4.46 111.349 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 47.0 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 CA-C-O 121.039 0.35 . . . . 5.29 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.38 -25.29 67.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.653 -0.703 . . . . 5.13 111.392 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -68.87 -38.41 79.69 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.866 0.466 . . . . 5.19 109.968 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.701 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 63.7 tttm -57.31 -9.17 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.815 -0.63 . . . . 6.27 112.303 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.498 ' CE1' HD11 ' A' ' 107' ' ' LEU . 53.3 t80 -62.3 -29.49 70.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.862 -0.524 . . . . 3.24 110.356 173.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 132' ' ' ILE . 52.0 tp -66.43 -55.37 19.65 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.998 -0.546 . . . . 3.18 112.007 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.1 Cg_endo -61.39 -28.25 83.79 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.187 1.925 . . . . 3.51 112.264 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 38.6 mm-40 -62.02 -44.85 95.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.38 0.609 . . . . 3.7 109.953 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 103' ' ' TYR . 77.3 mt -63.81 -45.69 88.5 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.162 -0.926 . . . . 1.63 111.091 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.5 ptp -64.93 -33.92 77.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 2.67 111.023 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.68 66.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.866 -0.334 . . . . 1.6 111.017 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 64.5 mt-10 -65.26 -39.39 92.58 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 121.535 0.684 . . . . 1.49 109.445 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 43.6 tttm -59.52 -47.42 85.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.374 -1.284 . . . . 1.89 111.276 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.94 -29.76 68.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.464 -0.334 . . . . 3.08 111.409 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.429 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 24.1 m -93.06 -20.55 20.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.47 0.544 . . . . 0.55 112.47 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' B' ' 114' ' ' LEU . 8.9 tp -71.97 141.75 49.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.31 110.352 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.62 133.71 76.59 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.862 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.98 -16.65 55.64 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.644 2.896 . . . . 0.55 113.512 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -62.45 -22.42 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.084 0.468 . . . . 1.3 110.301 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.449 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.6 m-85 -94.08 83.09 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.971 -0.752 . . . . 1.23 108.971 175.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 99.0 m -62.45 -49.11 76.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.646 -0.706 . . . . 0.48 112.02 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.28 -41.12 73.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.425 -0.352 . . . . 1.47 110.944 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.97 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.47 110.399 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -69.27 -37.95 78.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.832 -1.076 . . . . 0.63 110.888 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -68.51 -43.62 76.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.861 -0.609 . . . . 1.76 111.396 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' B' ' 124' ' ' LEU . 35.0 mt -67.64 -35.61 79.22 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.936 -0.306 . . . . 0.83 110.776 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -62.1 -38.42 88.82 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.448 -0.575 . . . . 0.52 109.448 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.1 m -67.9 -46.81 70.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.373 -0.831 . . . . 1.07 110.496 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.52 92.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.421 -0.809 . . . . 1.38 112.397 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 132' ' ' ILE . 15.1 tp10 -60.84 -39.09 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.439 . . . . 2.02 110.543 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 111' ' ' LYS . 91.9 mt -63.21 -44.56 99.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.075 -0.511 . . . . 1.92 110.29 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.9 mt-10 -57.9 -38.4 75.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.354 0.597 . . . . 2.25 110.138 177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -65.81 -45.03 83.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.096 -0.956 . . . . 3.73 110.96 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD13 ' A' ' 104' ' ' LEU . 15.0 mt -69.75 -43.9 79.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.796 0.331 . . . . 2.98 111.35 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.3 -39.96 84.67 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 3.49 111.418 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.43 -33.09 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.4 . . . . 3.82 110.493 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 119.001 -0.888 . . . . 4.46 111.192 -173.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 46.9 Cg_endo . . . . . 0 N--CA 1.459 -0.541 0 CA-C-O 121.11 0.379 . . . . 5.29 111.759 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.11 -25.55 68.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.553 -0.749 . . . . 5.14 111.399 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.2 -39.11 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.394 . . . . 5.19 110.03 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.714 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 63.7 tttm -56.82 -9.29 0.76 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.757 -0.656 . . . . 6.27 112.496 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' B' ' 107' ' ' LEU . 52.6 t80 -62.2 -29.53 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.896 -0.503 . . . . 3.24 110.474 173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' B' ' 132' ' ' ILE . 52.5 tp -66.49 -55.24 19.78 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.922 -0.581 . . . . 3.18 112.029 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.1 Cg_endo -61.53 -28.14 82.87 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.162 1.908 . . . . 3.51 112.194 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.5 mm-40 -62.12 -45.0 95.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.319 0.581 . . . . 3.71 109.81 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.504 HD11 ' CE1' ' B' ' 103' ' ' TYR . 77.9 mt -63.9 -45.58 88.66 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.145 -0.934 . . . . 1.63 111.026 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.7 ptp -64.9 -33.78 76.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 2.67 111.095 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.61 -46.35 66.45 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.867 -0.333 . . . . 1.6 111.123 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 64.5 mt-10 -65.67 -39.22 91.11 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.626 0.727 . . . . 1.49 109.275 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.538 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.9 tttm -59.65 -47.55 85.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.115 -1.402 . . . . 1.89 111.116 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.02 -29.56 67.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.834 0.349 . . . . 3.08 111.486 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 20.3 m -93.27 -20.4 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.398 0.518 . . . . 0.55 112.398 -173.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.996 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -71.83 142.06 49.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.878 0.371 . . . . 0.3 110.541 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.03 133.44 75.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.706 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.66 -16.49 53.16 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.536 2.824 . . . . 0.55 113.579 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.8 t -62.34 -22.7 66.3 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.912 0.387 . . . . 1.3 110.159 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.429 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.0 m-85 -93.96 83.16 4.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.726 . . . . 1.23 109.038 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 99.6 m -62.74 -48.97 76.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.657 -0.701 . . . . 0.48 112.003 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -70.35 -41.02 73.69 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.447 -0.342 . . . . 1.47 111.006 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.658 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.71 -40.75 84.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.603 0.716 . . . . 0.47 110.643 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.618 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -69.6 -37.62 76.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.761 -1.109 . . . . 0.63 110.885 178.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -68.64 -43.79 75.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 1.76 111.275 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 124' ' ' LEU . 34.0 mt -67.7 -35.58 79.07 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.994 -0.282 . . . . 0.83 110.713 -177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.1 mt -62.29 -38.29 88.79 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.531 -0.544 . . . . 0.52 109.531 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.496 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -67.79 -46.96 70.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.466 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.28 93.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.439 -0.8 . . . . 1.38 112.31 -175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.518 ' O ' HG13 ' B' ' 132' ' ' ILE . 15.1 tp10 -61.11 -38.8 87.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.95 0.405 . . . . 2.01 110.346 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' B' ' 111' ' ' LYS . 92.2 mt -63.5 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.025 -0.534 . . . . 1.92 110.327 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.9 mt-10 -58.05 -38.36 76.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.326 0.584 . . . . 2.25 110.056 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 25.0 ttpp -65.68 -44.99 84.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.079 -0.964 . . . . 3.73 111.022 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.6 mt -69.69 -44.23 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.747 0.308 . . . . 2.98 111.352 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.27 -39.96 84.55 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.111 -0.495 . . . . 3.49 111.377 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' B' ' 131' ' ' LYS . 20.1 pttp -75.04 -33.54 61.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 3.82 110.411 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.938 -0.924 . . . . 4.46 111.172 -173.302 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.471 -0.242 . . . . 5.29 111.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.02 -48.52 79.81 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.048 0.452 . . . . 5.13 111.21 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.7 -35.61 70.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.016 -0.993 . . . . 5.19 113.006 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 22.5 ttpp -95.85 -19.21 19.76 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.674 -0.411 . . . . 6.27 110.712 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.477 ' CD2' HD11 ' A' ' 132' ' ' ILE . 64.1 t80 -63.33 -32.49 73.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.877 0.471 . . . . 3.24 111.608 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 132' ' ' ILE . 58.2 tp -65.69 -55.36 23.82 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.376 0.51 . . . . 3.18 112.376 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.1 Cg_endo -61.6 -28.24 82.63 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.242 1.961 . . . . 3.51 112.038 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.8 mm-40 -61.71 -45.23 94.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 3.7 110.296 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 103' ' ' TYR . 92.1 mt -63.31 -45.49 91.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.317 -0.856 . . . . 1.63 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.1 ptp -65.76 -33.64 76.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 2.67 111.381 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.7 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.903 -0.319 . . . . 1.6 111.212 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 76.5 mt-10 -65.9 -39.34 90.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 1.49 109.303 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 125' ' ' LEU . 44.8 tttm -58.6 -48.53 80.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.028 -1.442 . . . . 1.89 111.364 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.18 -31.48 70.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.779 0.323 . . . . 3.08 111.405 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 45.5 m -91.07 -14.65 30.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.631 0.604 . . . . 0.55 112.631 -173.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' B' ' 114' ' ' LEU . 10.5 tp -75.32 143.73 42.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.957 0.408 . . . . 0.31 110.793 -174.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -72.04 132.5 84.53 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 1.23 110.401 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.0 -16.71 56.46 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.397 2.732 . . . . 0.55 113.582 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.3 t -60.84 -23.79 65.38 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.93 0.395 . . . . 1.3 110.675 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.4 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 56.6 m-85 -93.85 83.79 4.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.44 -0.578 . . . . 1.23 109.44 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 98.6 m -58.63 -51.4 70.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.586 -0.734 . . . . 0.48 111.902 -175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.3 m-70 -70.54 -41.71 72.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.266 -0.425 . . . . 1.47 111.19 -174.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.77 -40.6 84.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.47 110.352 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -37.95 74.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.891 -1.049 . . . . 0.63 110.763 178.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.33 -44.44 75.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 1.76 111.304 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.1 mt -66.8 -35.16 79.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.868 -0.333 . . . . 0.83 110.8 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.9 mt -64.15 -38.27 90.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.058 -0.519 . . . . 0.52 109.67 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.6 m -66.7 -47.38 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 1.07 110.234 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.121 -0.945 . . . . 1.38 112.422 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 132' ' ' ILE . 40.0 tp10 -61.99 -36.43 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.161 0.505 . . . . 2.02 110.854 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.563 HD12 ' HD2' ' A' ' 111' ' ' LYS . 97.4 mt -65.26 -41.6 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 1.92 110.534 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 126' ' ' THR . 46.5 mt-10 -59.43 -38.24 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.367 0.603 . . . . 2.25 109.748 175.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' GLU . 73.1 tttt -62.23 -49.65 74.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.886 -1.052 . . . . 3.73 111.547 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.54 ' HB ' HD13 ' A' ' 104' ' ' LEU . 11.0 mt -68.56 -42.33 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.386 -0.37 . . . . 2.98 110.944 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.78 -23.14 60.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 3.49 112.225 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.39 -37.43 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.699 -0.401 . . . . 3.82 110.621 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.39 -1.228 . . . . 4.46 111.364 -175.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.513 -0.226 . . . . 5.29 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.8 -48.39 79.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.006 0.431 . . . . 5.14 111.324 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.25 -34.96 71.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 5.19 112.959 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 22.5 ttpp -96.03 -19.36 19.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.473 -0.491 . . . . 6.27 110.664 -175.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.483 ' CE2' HD11 ' B' ' 107' ' ' LEU . 63.6 t80 -63.16 -32.6 74.03 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.883 0.473 . . . . 3.24 111.65 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 132' ' ' ILE . 58.3 tp -65.8 -55.33 23.41 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 112.529 0.566 . . . . 3.18 112.529 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.42 -28.33 83.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.038 1.825 . . . . 3.51 112.096 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 6.0 mm-40 -61.84 -44.97 95.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.253 0.549 . . . . 3.71 110.229 174.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.483 HD11 ' CE2' ' B' ' 103' ' ' TYR . 91.6 mt -63.46 -45.51 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.408 -0.814 . . . . 1.63 111.205 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.2 ptp -65.77 -33.76 76.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 2.67 111.318 -178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.76 -46.68 65.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.807 -0.357 . . . . 1.6 111.14 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 77.9 mt-10 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.78 0.8 . . . . 1.49 109.35 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.602 ' HA ' HD13 ' B' ' 125' ' ' LEU . 45.1 tttm -58.2 -49.3 77.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.025 -1.443 . . . . 1.89 111.324 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.63 -31.34 70.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.784 0.326 . . . . 3.08 111.577 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 45.9 m -91.0 -15.12 30.17 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 0.55 112.649 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.969 HD11 HD11 ' A' ' 114' ' ' LEU . 10.3 tp -74.73 143.79 43.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.849 0.357 . . . . 0.3 110.864 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.3 132.51 84.04 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.441 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.04 -16.85 57.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.414 2.743 . . . . 0.55 113.562 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 t -60.86 -23.81 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 1.3 110.559 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 57.4 m-85 -93.62 84.12 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.53 -0.544 . . . . 1.23 109.53 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.5 m -58.83 -51.43 70.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.577 -0.738 . . . . 0.48 111.92 -175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.3 m-70 -70.55 -41.71 72.13 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.264 -0.426 . . . . 1.47 111.087 -173.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.75 -40.6 84.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.542 0.687 . . . . 0.47 110.458 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.24 -38.05 75.09 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.014 -0.994 . . . . 0.63 110.794 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.29 -44.23 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 1.76 111.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.7 mt -67.13 -35.1 79.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.83 -0.348 . . . . 0.83 110.676 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.0 mt -64.26 -38.08 89.78 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.598 -0.519 . . . . 0.52 109.598 174.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.6 m -66.76 -47.31 72.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 1.07 110.228 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.83 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.31 -0.859 . . . . 1.38 112.37 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.52 ' O ' HG13 ' B' ' 132' ' ' ILE . 39.3 tp10 -61.86 -36.73 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.056 0.455 . . . . 2.01 110.97 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.547 HD12 ' HD2' ' B' ' 111' ' ' LYS . 97.4 mt -65.09 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.853 -0.612 . . . . 1.92 110.477 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 126' ' ' THR . 46.9 mt-10 -59.28 -38.4 80.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 2.25 109.832 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 128' ' ' GLU . 72.3 tttt -62.2 -50.06 73.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.873 -1.058 . . . . 3.73 111.524 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.539 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.5 mt -67.97 -42.39 85.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 2.98 111.123 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.81 -22.82 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 3.49 112.137 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -83.96 -37.33 22.4 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.568 -0.453 . . . . 3.82 110.81 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.582 -1.121 . . . . 4.46 111.253 -175.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.927 0.303 . . . . 5.29 111.84 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 42.8 mt-10 -59.58 -28.93 67.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.63 -0.714 . . . . 5.13 111.021 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -34.76 75.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.522 -0.763 . . . . 5.19 111.17 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 65.4 mttp -99.65 -23.5 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.094 0.473 . . . . 6.27 111.108 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.61 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 57.8 t80 -61.16 -33.68 73.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.374 0.669 . . . . 3.24 111.364 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 132' ' ' ILE . 62.4 tp -63.98 -55.98 28.3 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.347 0.499 . . . . 3.18 112.347 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.674 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.9 Cg_endo -61.81 -28.9 82.16 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.193 1.929 . . . . 3.51 112.357 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 7.9 mm-40 -61.31 -45.78 93.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.207 0.527 . . . . 3.7 110.156 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.84 -45.49 92.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 1.63 111.101 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.674 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.4 ptp -64.89 -35.55 81.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.464 . . . . 2.67 111.367 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.61 66.7 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.652 -0.419 . . . . 1.6 110.898 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.6 mt-10 -64.64 -38.51 91.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.733 0.777 . . . . 1.49 109.294 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 125' ' ' LEU . 26.6 tttm -56.35 -53.11 61.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.018 -1.446 . . . . 1.89 111.518 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -11.87 59.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.106 0.41 . . . . 3.08 112.106 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.4 m -102.71 -12.61 17.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.983 0.42 . . . . 0.55 111.339 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' B' ' 114' ' ' LEU . 9.5 tp -80.67 143.88 32.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.323 -0.399 . . . . 0.31 110.095 -176.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.63 133.71 70.17 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.774 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.61 -16.8 56.88 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.583 2.855 . . . . 0.55 113.792 -174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.0 m -61.92 -20.19 63.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.3 110.835 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 62.6 m-85 -94.85 84.48 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.317 -0.623 . . . . 1.23 109.317 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 77.7 m -57.4 -55.17 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.545 -0.752 . . . . 0.48 112.072 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -70.29 -38.86 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.456 0.169 . . . . 1.47 111.456 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.2 -41.52 88.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.526 0.679 . . . . 0.47 110.226 175.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.56 -38.28 74.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.029 -0.987 . . . . 0.63 110.623 177.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -69.16 -42.84 75.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 1.76 111.46 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.49 -36.43 81.09 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.937 -0.305 . . . . 0.83 110.718 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 121' ' ' ALA . 23.1 mt -63.35 -38.5 91.39 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.403 -0.591 . . . . 0.52 109.403 174.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 78.6 m -68.22 -46.72 69.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.583 -0.735 . . . . 1.07 110.393 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.59 92.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.417 -0.811 . . . . 1.38 112.136 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 5.0 tp10 -60.59 -38.27 84.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.172 0.511 . . . . 2.02 110.325 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.33 -41.77 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.758 -0.655 . . . . 1.92 110.07 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 126' ' ' THR . 44.8 mt-10 -57.37 -39.64 76.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.095 0.474 . . . . 2.25 110.521 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.0 mtpt -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.571 -0.741 . . . . 3.73 111.226 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.587 ' HB ' HD13 ' A' ' 104' ' ' LEU . 12.6 mt -70.68 -41.74 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 2.98 111.055 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 13.9 mm-40 -64.92 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 3.49 111.677 -178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -74.94 -27.39 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.702 -0.399 . . . . 3.82 110.765 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.392 -1.226 . . . . 4.46 112.26 179.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 N--CA 1.46 -0.444 0 CA-C-O 121.082 0.367 . . . . 5.29 111.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.626 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 42.2 mt-10 -59.46 -28.96 67.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 5.14 111.088 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -34.31 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 5.19 111.235 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 65.4 mttp -99.69 -23.78 14.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.001 0.429 . . . . 6.27 110.984 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 57.9 t80 -61.08 -33.56 73.53 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.274 0.63 . . . . 3.24 111.388 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.7 tp -64.18 -55.9 28.0 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.252 0.464 . . . . 3.18 112.252 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.684 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.5 Cg_endo -61.73 -29.11 82.9 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.248 1.965 . . . . 3.51 112.313 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 8.3 mm-40 -61.37 -45.58 93.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.175 0.512 . . . . 3.71 110.188 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.94 -45.38 92.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 1.63 111.115 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.684 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.8 ptp -65.09 -35.05 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 2.67 111.458 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.47 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.957 -0.297 . . . . 1.6 110.911 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.8 mt-10 -64.76 -38.71 91.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.753 0.787 . . . . 1.49 109.312 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' B' ' 125' ' ' LEU . 26.5 tttm -56.43 -52.91 62.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.037 -1.438 . . . . 1.89 111.529 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.53 -11.91 59.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.413 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -101.91 -13.82 17.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.765 0.317 . . . . 0.55 111.291 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -79.87 143.81 33.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.95 0.405 . . . . 0.3 110.345 -176.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.42 133.59 71.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 1.23 110.759 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.6 -16.8 56.83 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.519 2.813 . . . . 0.55 113.863 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 15.6 m -61.65 -20.44 63.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.065 0.46 . . . . 1.3 110.928 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.413 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 62.7 m-85 -94.93 84.26 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.321 -0.622 . . . . 1.23 109.321 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -57.49 -54.74 43.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.82 . . . . 0.48 112.185 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -70.47 -38.91 74.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.632 0.234 . . . . 1.47 111.632 -175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.13 -41.43 88.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.49 0.662 . . . . 0.47 110.236 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.67 -38.24 73.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.915 -1.039 . . . . 0.63 110.636 177.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.23 -42.83 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.526 -0.761 . . . . 1.76 111.559 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.47 -36.53 81.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.748 0.308 . . . . 0.83 110.541 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 121' ' ' ALA . 22.2 mt -63.31 -38.75 92.37 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.52 109.33 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 80.3 m -68.12 -46.79 69.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.54 -0.754 . . . . 1.07 110.433 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.64 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.501 -0.772 . . . . 1.38 112.164 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.537 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 5.1 tp10 -60.54 -38.21 83.71 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.189 0.519 . . . . 2.01 110.459 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.39 -41.79 92.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.789 -0.641 . . . . 1.92 110.265 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 126' ' ' THR . 44.5 mt-10 -57.3 -39.76 76.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.101 -0.499 . . . . 2.25 110.52 177.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 47.8 mtpt -65.37 -44.6 87.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 3.73 111.332 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' B' ' 104' ' ' LEU . 12.8 mt -70.65 -42.09 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 2.98 110.816 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.463 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 14.2 mm-40 -64.63 -38.0 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 3.49 111.583 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -74.96 -27.08 60.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.804 -0.358 . . . . 3.82 110.853 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.593 -1.115 . . . . 4.46 112.192 179.348 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.571 ' HG2' ' CG ' ' A' ' 102' ' ' LYS . 39.6 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.407 0.503 . . . . 5.29 111.746 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HG2' HG23 ' A' ' 132' ' ' ILE . 35.7 tt0 -59.0 -31.98 69.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.179 . . . . 5.13 111.691 -173.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -60.9 -36.23 78.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 5.19 111.372 -178.037 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' CG ' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -102.09 -17.83 15.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 6.27 110.521 -177.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 132' ' ' ILE . 59.5 t80 -62.65 -31.46 72.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.705 -0.679 . . . . 3.24 110.991 175.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 132' ' ' ILE . 65.7 tp -64.62 -55.92 25.84 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.467 0.543 . . . . 3.18 112.467 -177.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.38 -30.84 88.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.031 1.821 . . . . 3.51 112.228 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 13.3 mt-10 -61.83 -44.68 96.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.983 0.421 . . . . 3.7 110.185 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 103' ' ' TYR . 89.2 mt -63.56 -45.54 90.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.397 -0.82 . . . . 1.63 110.806 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 19.7 ptp -64.3 -36.5 84.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 2.67 111.253 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.9 68.01 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.896 -0.322 . . . . 1.6 111.216 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.4 mt-10 -66.24 -39.49 89.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 1.49 109.395 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' O ' ' HE1' ' A' ' 122' ' ' MET . 47.0 tttp -59.25 -46.97 87.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.332 -1.304 . . . . 1.89 111.066 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.91 -32.33 73.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.816 0.341 . . . . 3.08 111.868 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.442 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 35.2 m -93.82 -16.48 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.529 0.566 . . . . 0.55 112.529 -172.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' B' ' 114' ' ' LEU . 9.2 tp -74.15 144.3 44.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.31 110.77 -175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.31 131.99 82.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 1.23 110.51 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.42 -16.56 55.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.444 2.762 . . . . 0.55 113.464 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.8 t -62.99 -20.13 64.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.023 0.439 . . . . 1.3 110.78 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.5 m-85 -94.38 84.55 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.299 -0.63 . . . . 1.23 109.299 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.8 m -56.02 -56.42 21.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.4 -0.818 . . . . 0.48 112.133 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -70.59 -38.34 74.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.532 -0.303 . . . . 1.47 111.51 -174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.717 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.94 -42.39 89.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.589 0.709 . . . . 0.47 110.4 175.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.674 ' HA ' ' HE3' ' A' ' 122' ' ' MET . 0.0 OUTLIER -70.75 -37.95 73.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.923 -1.035 . . . . 0.63 110.89 178.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.95 -43.87 74.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 1.76 111.339 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.67 -36.3 80.47 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.08 -0.248 . . . . 0.83 110.949 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' B' ' 121' ' ' ALA . 17.4 mt -63.4 -39.15 93.72 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.499 -0.556 . . . . 0.52 109.499 176.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.6 m -70.53 -44.79 66.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.24 -0.891 . . . . 1.07 110.311 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -63.19 -45.05 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.677 -0.692 . . . . 1.38 111.957 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.589 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 47.8 tp10 -60.04 -36.73 77.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.121 0.486 . . . . 2.02 110.82 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.24 -39.73 85.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.367 -0.833 . . . . 1.92 110.079 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 42.6 mt-10 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 2.25 110.823 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -57.45 -48.76 78.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.047 0.451 . . . . 3.73 110.83 179.083 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.684 HG23 ' HG2' ' A' ' 100' ' ' GLU . 8.4 mt -68.12 -40.66 83.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.816 -0.629 . . . . 2.98 110.96 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 17.1 mm-40 -67.89 -39.38 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.49 111.288 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -74.11 -32.09 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.547 -0.297 . . . . 3.82 111.097 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.602 -1.11 . . . . 4.46 111.953 179.445 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.575 ' HG2' ' CG ' ' B' ' 102' ' ' LYS . 40.3 Cg_endo . . . . . 0 N--CA 1.459 -0.539 0 CA-C-O 121.49 0.538 . . . . 5.29 111.635 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.694 ' HG2' HG23 ' B' ' 132' ' ' ILE . 35.5 tt0 -58.91 -32.01 69.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.209 . . . . 5.14 111.68 -173.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -36.14 78.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.112 -0.495 . . . . 5.19 111.263 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.575 ' CG ' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -102.31 -17.96 15.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.184 0.516 . . . . 6.27 110.556 -177.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.455 ' CD2' HD11 ' B' ' 132' ' ' ILE . 59.5 t80 -62.64 -31.44 72.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.714 -0.676 . . . . 3.24 110.972 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 132' ' ' ILE . 65.2 tp -64.6 -56.06 24.97 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.322 0.49 . . . . 3.18 112.322 -177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.667 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.7 Cg_endo -61.39 -30.73 87.73 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.972 1.781 . . . . 3.51 112.263 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 12.8 mt-10 -61.76 -44.82 96.14 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.122 0.487 . . . . 3.71 110.179 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.23 -45.73 90.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 1.63 110.872 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.667 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 19.9 ptp -64.48 -36.21 83.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 2.67 111.196 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.85 67.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.924 -0.31 . . . . 1.6 111.279 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 62.3 mt-10 -66.4 -39.24 88.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 1.49 109.523 176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.592 ' O ' ' HE1' ' B' ' 122' ' ' MET . 47.1 tttp -59.26 -47.51 85.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.342 -1.299 . . . . 1.89 110.868 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.52 -31.81 72.77 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.936 0.346 . . . . 3.08 111.936 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 36.8 m -94.45 -16.16 23.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.566 0.58 . . . . 0.55 112.566 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.945 HD11 HD11 ' A' ' 114' ' ' LEU . 9.2 tp -74.44 144.13 44.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.855 0.359 . . . . 0.3 110.74 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -73.37 131.61 82.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 1.23 110.514 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.34 -16.34 53.93 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.418 2.745 . . . . 0.55 113.558 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.1 t -62.89 -19.77 64.5 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.832 0.348 . . . . 1.3 110.929 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.442 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.2 m-85 -94.9 84.7 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.225 -0.658 . . . . 1.23 109.225 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 34.1 m -56.32 -56.14 24.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.48 112.054 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.58 -38.27 74.03 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.559 -0.291 . . . . 1.47 111.47 -174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.03 -42.23 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.709 0.766 . . . . 0.47 110.452 175.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.83 -38.1 73.23 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.837 -1.074 . . . . 0.63 110.919 177.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -68.78 -43.94 74.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.351 -0.84 . . . . 1.76 111.447 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.4 -36.44 81.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.635 0.255 . . . . 0.83 110.991 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 121' ' ' ALA . 17.5 mt -63.47 -39.09 93.54 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.529 -0.545 . . . . 0.52 109.529 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.3 m -70.51 -44.74 66.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.3 -0.864 . . . . 1.07 110.403 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -63.04 -45.4 92.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.736 . . . . 1.38 111.978 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.589 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 45.9 tp10 -59.72 -36.86 77.43 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.337 0.589 . . . . 2.01 110.912 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.291 -0.868 . . . . 1.92 110.126 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 127' ' ' ALA . 42.9 mt-10 -57.26 -42.57 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 2.25 110.819 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 0.4 OUTLIER -57.31 -48.65 78.41 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.118 0.485 . . . . 3.73 110.913 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.694 HG23 ' HG2' ' B' ' 100' ' ' GLU . 8.4 mt -68.33 -40.96 83.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 2.98 110.953 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -67.3 -39.71 85.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 3.49 111.483 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -73.75 -31.32 63.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.504 -0.317 . . . . 3.82 111.257 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.316 -1.269 . . . . 4.46 111.898 179.747 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 42.7 Cg_endo . . . . . 0 C--O 1.237 0.451 0 CA-C-O 121.268 0.445 . . . . 5.29 111.814 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 132' ' ' ILE . 12.3 mm-40 -59.03 -26.08 64.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.939 -1.028 . . . . 5.13 111.991 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -35.17 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 5.19 111.386 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 4.6 mptp? -91.42 -34.09 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.198 0.523 . . . . 6.27 110.38 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.598 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 44.8 t80 -60.38 -35.99 77.03 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.767 0.827 . . . . 3.24 112.091 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 129' ' ' ILE . 59.5 tp -64.62 -54.43 36.74 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.472 0.545 . . . . 3.18 112.472 -175.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.0 Cg_endo -61.6 -30.48 85.91 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.084 1.856 . . . . 3.51 112.138 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 20.2 mt-10 -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.064 0.459 . . . . 3.7 110.178 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 83.7 mt -62.66 -45.62 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.474 -0.785 . . . . 1.63 111.124 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.624 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.6 ptp -65.97 -34.33 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 2.67 111.346 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.51 -45.83 67.98 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.888 -0.325 . . . . 1.6 110.925 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.0 mt-10 -64.4 -41.37 96.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.676 0.751 . . . . 1.49 109.423 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HA ' HD13 ' A' ' 125' ' ' LEU . 43.5 tttt -58.97 -50.54 73.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.999 -1.455 . . . . 1.89 111.246 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.64 -29.49 70.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.855 0.359 . . . . 3.08 111.481 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 46.1 m -95.14 -10.57 30.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.334 0.494 . . . . 0.55 112.334 -173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' B' ' 114' ' ' LEU . 10.0 tp -79.09 143.52 35.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.936 0.398 . . . . 0.31 110.463 -175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.74 132.42 85.18 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.733 -0.667 . . . . 1.23 110.693 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.75 -16.81 57.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.447 2.765 . . . . 0.55 113.431 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -62.44 -21.19 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 1.3 110.578 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 61.2 m-85 -94.0 83.11 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -59.2 -53.01 63.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.954 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -70.21 -39.21 75.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.623 -0.262 . . . . 1.47 111.376 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.94 89.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.498 0.665 . . . . 0.47 110.301 175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.604 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.35 -35.68 73.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.822 -1.081 . . . . 0.63 110.718 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -68.15 -46.52 70.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.452 -0.795 . . . . 1.76 111.117 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.62 -36.21 80.4 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 121.08 -0.248 . . . . 0.83 111.002 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.5 mt -61.64 -38.01 86.12 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.084 0.469 . . . . 0.52 109.815 175.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.7 m -72.68 -42.3 64.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.613 -0.721 . . . . 1.07 110.117 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.85 96.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.816 -0.629 . . . . 1.38 111.692 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' HG13 ' A' ' 132' ' ' ILE . 6.3 tp10 -61.97 -40.97 97.43 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.137 0.494 . . . . 2.02 110.6 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 104' ' ' LEU . 95.6 mt -61.6 -40.52 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.607 -0.724 . . . . 1.92 110.067 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.785 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.4 mt-10 -57.56 -43.55 84.57 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.843 -0.617 . . . . 2.25 110.366 175.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.57 -49.19 77.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.125 0.488 . . . . 3.73 110.649 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 100' ' ' GLU . 9.7 mt -65.66 -44.67 93.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.555 -0.748 . . . . 2.98 110.854 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.89 -22.54 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.702 0.63 . . . . 3.49 112.702 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.785 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 62.6 mttm -73.71 -30.79 63.06 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.04 0.448 . . . . 3.82 110.676 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.215 0 CA-C-O 118.566 -1.13 . . . . 4.46 112.413 -172.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.517 ' HG2' ' HD3' ' B' ' 102' ' ' LYS . 42.9 Cg_endo . . . . . 0 N--CA 1.462 -0.339 0 CA-C-O 121.275 0.448 . . . . 5.29 111.733 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.72 ' HB3' HG23 ' B' ' 132' ' ' ILE . 12.0 mm-40 -59.01 -26.08 64.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.859 -1.064 . . . . 5.14 111.947 -174.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -35.04 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 5.19 111.48 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 4.6 mptp? -91.57 -33.69 15.04 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.364 0.602 . . . . 6.27 110.57 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.593 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 46.2 t80 -60.57 -36.1 77.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 3.24 111.965 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.562 HD11 HG23 ' B' ' 129' ' ' ILE . 59.4 tp -64.58 -54.4 37.18 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 112.559 0.577 . . . . 3.18 112.559 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.9 Cg_endo -61.31 -30.89 88.56 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.159 1.906 . . . . 3.51 112.048 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 19.2 mt-10 -62.6 -43.99 97.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 3.71 110.383 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.16 -45.15 93.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.341 -0.845 . . . . 1.63 111.049 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.634 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.9 ptp -66.31 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 2.67 111.393 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.05 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.894 -0.322 . . . . 1.6 110.893 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 59.9 mt-10 -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.749 0.785 . . . . 1.49 109.43 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' B' ' 125' ' ' LEU . 43.5 tttt -59.12 -50.46 73.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.041 -1.436 . . . . 1.89 111.301 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.16 -28.94 69.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.313 . . . . 3.08 111.441 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 43.5 m -95.28 -10.83 29.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.503 0.557 . . . . 0.55 112.503 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.949 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -78.81 143.52 35.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.857 0.361 . . . . 0.3 110.612 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.85 132.22 85.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.984 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -64.5 -16.69 56.53 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.406 2.737 . . . . 0.55 113.539 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.3 t -62.56 -21.19 65.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.894 0.378 . . . . 1.3 110.646 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 58.6 m-85 -93.93 83.22 4.32 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.514 -0.55 . . . . 1.23 109.514 177.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 86.3 m -59.28 -53.22 60.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.496 -0.774 . . . . 0.48 111.935 -174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -70.31 -39.35 74.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.571 -0.286 . . . . 1.47 111.318 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.704 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.74 -41.94 87.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.47 110.564 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.607 178.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.15 -46.48 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.603 -0.726 . . . . 1.76 111.159 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.51 -36.21 80.61 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.03 -0.268 . . . . 0.83 111.071 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.5 mt -61.58 -37.94 85.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.52 109.757 175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 25.5 m -72.75 -42.28 64.21 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.616 -0.72 . . . . 1.07 110.272 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.27 94.69 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.568 -0.742 . . . . 1.38 111.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 132' ' ' ILE . 6.4 tp10 -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.019 0.438 . . . . 2.01 110.549 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.562 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt -61.63 -40.22 85.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 1.92 110.182 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.788 ' HB3' ' HE2' ' B' ' 134' ' ' LYS . 37.3 mt-10 -57.88 -43.55 86.11 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.756 -0.656 . . . . 2.25 110.393 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -57.58 -49.18 77.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.952 0.406 . . . . 3.73 110.575 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.72 HG23 ' HB3' ' B' ' 100' ' ' GLU . 9.3 mt -65.63 -44.53 93.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.392 -0.822 . . . . 2.98 110.854 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.72 -23.07 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.649 0.611 . . . . 3.49 112.649 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.788 ' HE2' ' HB3' ' B' ' 130' ' ' GLU . 63.0 mttm -73.34 -31.43 63.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.111 0.481 . . . . 3.82 110.602 176.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.32 0 CA-C-O 118.579 -1.123 . . . . 4.46 112.341 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.633 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 98.6 Cg_endo . . . . . 0 CA--C 1.519 -0.263 0 CA-C-O 121.247 0.436 . . . . 5.29 111.089 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -41.72 85.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.939 -1.028 . . . . 5.13 111.771 -172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.66 -32.76 74.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.846 -0.615 . . . . 5.19 111.831 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.633 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -90.53 -30.23 17.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.907 0.384 . . . . 6.27 111.41 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 132' ' ' ILE . 45.5 t80 -60.64 -35.92 77.38 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.443 0.697 . . . . 3.24 112.23 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 132' ' ' ILE . 64.6 tp -64.17 -55.97 27.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.315 0.487 . . . . 3.18 112.315 -175.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 32.5 Cg_endo -61.23 -29.76 87.08 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.072 1.848 . . . . 3.51 112.064 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 34.6 mm-40 -62.54 -44.3 96.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 3.7 110.408 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 103' ' ' TYR . 86.7 mt -62.8 -45.35 93.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.555 -0.748 . . . . 1.63 111.184 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptp -65.05 -34.35 78.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.465 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.44 -46.61 66.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 1.6 111.062 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 90.0 mt-10 -66.53 -38.39 87.08 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.579 0.704 . . . . 1.49 109.408 177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.592 ' HA ' HD13 ' A' ' 125' ' ' LEU . 27.5 tttm -55.57 -51.94 65.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.085 -1.416 . . . . 1.89 111.289 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.68 -7.65 58.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.023 0.379 . . . . 3.08 112.023 -175.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 49.7 m -103.42 -13.39 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.824 0.345 . . . . 0.55 111.156 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -80.62 143.43 33.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.31 110.038 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -76.19 133.73 71.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 1.23 110.239 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.22 -16.66 41.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.844 3.029 . . . . 0.55 113.53 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.8 m -58.97 -25.18 63.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.87 0.366 . . . . 1.3 111.052 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 60.6 m-85 -94.08 84.51 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.771 -0.455 . . . . 1.23 109.771 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.7 m -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.6 . . . . 0.48 111.808 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.79 -43.48 72.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.193 -0.458 . . . . 1.47 110.692 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.54 -41.06 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.478 0.656 . . . . 0.47 110.386 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.38 -37.3 74.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.954 -1.021 . . . . 0.63 110.917 179.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.01 -43.99 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 1.76 110.954 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.92 -35.48 80.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.638 0.256 . . . . 0.83 110.879 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' B' ' 121' ' ' ALA . 24.3 mt -65.49 -38.82 90.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.652 -0.499 . . . . 0.52 109.652 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.596 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.3 m -66.83 -47.41 72.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.513 -0.767 . . . . 1.07 110.238 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 131' ' ' LYS . . . -63.05 -45.09 93.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.332 -0.849 . . . . 1.38 112.111 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.459 ' O ' HG13 ' A' ' 132' ' ' ILE . 2.3 tp10 -59.69 -39.04 83.25 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.2 0.524 . . . . 2.02 110.583 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 104' ' ' LEU . 93.0 mt -64.81 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 1.92 110.526 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 126' ' ' THR . 59.8 mt-10 -58.32 -40.62 82.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.955 -0.566 . . . . 2.25 110.31 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 134' ' ' LYS . 65.4 mttm -62.89 -47.09 84.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 3.73 111.118 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.585 ' HB ' HD13 ' A' ' 104' ' ' LEU . 9.8 mt -67.95 -42.19 85.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 2.98 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 3.49 112.086 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 131' ' ' LYS . 21.0 pttp -81.48 -34.36 31.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.96 0.409 . . . . 3.82 110.5 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.466 -1.186 . . . . 4.46 111.245 -175.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.624 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 94.7 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.025 -0.414 . . . . 5.29 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.66 -41.7 86.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.024 -0.989 . . . . 5.14 111.804 -171.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.69 -32.7 74.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.748 -0.66 . . . . 5.19 111.82 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -90.19 -30.57 17.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.86 0.362 . . . . 6.27 111.49 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' B' ' 132' ' ' ILE . 45.8 t80 -60.68 -36.15 78.05 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.396 0.678 . . . . 3.24 112.186 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' B' ' 132' ' ' ILE . 65.1 tp -63.81 -55.91 29.57 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.469 0.544 . . . . 3.18 112.469 -175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.9 Cg_endo -60.96 -30.05 89.17 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.022 1.815 . . . . 3.51 112.17 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 38.4 mm-40 -62.71 -43.94 97.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.206 0.527 . . . . 3.71 110.448 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' ' 103' ' ' TYR . 87.0 mt -62.64 -45.33 93.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.616 -0.72 . . . . 1.63 111.24 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.563 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 22.1 ptp -65.59 -33.84 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.082 -0.508 . . . . 2.67 111.345 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.72 65.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.768 -0.373 . . . . 1.6 110.89 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 90.8 mt-10 -66.5 -38.3 86.94 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.477 0.656 . . . . 1.49 109.606 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.6 tttm -55.47 -51.77 65.85 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.107 -1.406 . . . . 1.89 111.423 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -7.77 58.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 111.962 0.356 . . . . 3.08 111.962 -175.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 50.0 m -103.48 -13.06 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.064 0.459 . . . . 0.55 111.169 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 8.7 tp -80.69 143.18 33.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.133 -0.485 . . . . 0.3 109.834 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -75.84 133.59 72.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 1.23 110.294 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.35 -16.5 41.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.737 2.958 . . . . 0.55 113.487 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -59.11 -25.23 63.65 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.901 0.382 . . . . 1.3 111.138 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 60.8 m-85 -94.02 84.5 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 1.23 109.801 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 74.7 m -60.49 -49.67 76.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.897 -0.592 . . . . 0.48 111.853 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -69.97 -43.33 71.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.181 -0.463 . . . . 1.47 110.652 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.705 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.73 -40.77 84.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.532 0.682 . . . . 0.47 110.571 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.6 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.64 -37.3 73.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.893 -1.049 . . . . 0.63 110.896 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.06 -43.81 77.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.76 110.973 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.8 mt -67.19 -35.42 79.6 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.923 -0.311 . . . . 0.83 110.903 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 121' ' ' ALA . 23.9 mt -65.42 -38.81 91.04 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.577 -0.527 . . . . 0.52 109.577 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.582 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 88.3 m -66.8 -47.66 71.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.547 -0.751 . . . . 1.07 110.194 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.92 94.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 1.38 111.88 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.474 ' O ' HG13 ' B' ' 132' ' ' ILE . 2.4 tp10 -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.213 0.53 . . . . 2.01 110.583 -178.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.456 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt -64.82 -40.87 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.703 . . . . 1.92 110.579 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 126' ' ' THR . 61.3 mt-10 -57.92 -40.89 81.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.065 -0.516 . . . . 2.25 110.247 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' B' ' 134' ' ' LYS . 65.0 mttm -62.61 -47.5 83.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.626 -0.715 . . . . 3.73 111.194 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.586 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -67.59 -42.32 86.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.841 0.353 . . . . 2.98 111.111 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -71.03 -29.58 65.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 3.49 112.15 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 131' ' ' LYS . 20.9 pttp -82.23 -34.02 29.05 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.678 -0.409 . . . . 3.82 110.624 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.54 -1.144 . . . . 4.46 111.128 -175.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.036 -0.409 . . . . 5.29 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.7 mt-10 -59.12 -28.45 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.774 -0.648 . . . . 5.13 111.084 -176.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.71 -35.15 77.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.733 -0.667 . . . . 5.19 111.674 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 9.2 ttpp -95.27 -29.73 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 6.27 110.795 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.502 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 60.4 t80 -62.19 -31.94 72.52 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.16 0.584 . . . . 3.24 111.77 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.534 HD13 ' HB ' ' A' ' 132' ' ' ILE . 57.3 tp -65.59 -55.18 25.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 111.977 0.362 . . . . 3.18 111.977 -177.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.68 ' O ' ' HG2' ' A' ' 108' ' ' MET . 38.9 Cg_endo -63.21 -28.08 72.83 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.147 1.898 . . . . 3.51 112.763 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 5.9 mm-40 -61.23 -46.67 89.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 3.7 109.505 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.88 -44.86 95.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.93 -1.032 . . . . 1.63 110.953 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 26.3 ptm -63.08 -36.61 84.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.14 -0.482 . . . . 2.67 110.909 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.11 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.013 -0.275 . . . . 1.6 111.078 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.557 ' OE2' ' HB2' ' B' ' 120' ' ' HIS . 31.5 mt-10 -65.81 -40.53 91.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.634 0.73 . . . . 1.49 109.404 176.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 125' ' ' LEU . 24.1 tttm -56.42 -53.56 55.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.037 -1.438 . . . . 1.89 111.483 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.63 -8.2 57.53 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.081 0.4 . . . . 3.08 112.081 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.435 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 43.3 m -104.63 -14.67 15.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.911 0.386 . . . . 0.55 111.426 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' B' ' 114' ' ' LEU . 9.4 tp -79.44 144.17 34.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.182 -0.463 . . . . 0.31 110.029 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -79.99 133.22 58.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 1.23 110.61 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 122' ' ' MET . 32.5 Cg_endo -60.9 -15.84 41.06 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.916 3.077 . . . . 0.55 113.874 -176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.2 m -61.59 -21.23 64.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.211 0.529 . . . . 1.3 110.412 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 58.7 m-85 -95.06 82.96 3.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.746 -0.835 . . . . 1.23 108.746 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.63 -54.49 46.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.493 -0.776 . . . . 0.48 112.103 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.553 ' HB2' ' OE2' ' B' ' 110' ' ' GLU . 90.3 m-70 -70.59 -37.62 73.94 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.058 -0.257 . . . . 1.47 111.272 -175.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.47 -41.51 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.657 0.741 . . . . 0.47 110.481 175.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.612 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.63 -39.67 73.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.745 -1.116 . . . . 0.63 110.566 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 120' ' ' HIS . 13.2 tt0 -69.18 -42.09 76.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.788 -1.096 . . . . 1.76 111.77 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.32 -35.72 80.01 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 121.066 -0.253 . . . . 0.83 110.685 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 121' ' ' ALA . 27.7 mt -64.3 -39.21 93.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.52 109.321 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.3 m -64.89 -47.5 77.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.304 -0.862 . . . . 1.07 110.317 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.28 88.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.209 -0.905 . . . . 1.38 112.141 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 132' ' ' ILE . 3.1 tp10 -61.0 -38.49 86.23 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.22 0.533 . . . . 2.02 110.413 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HD2' ' A' ' 111' ' ' LYS . 95.8 mt -65.51 -41.21 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 1.92 110.218 177.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.798 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 32.2 mt-10 -57.96 -43.26 86.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.986 -0.552 . . . . 2.25 110.015 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -58.12 -47.2 84.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.781 0.324 . . . . 3.73 110.925 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.534 ' HB ' HD13 ' A' ' 104' ' ' LEU . 10.3 mt -68.68 -41.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.98 -0.554 . . . . 2.98 110.86 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.28 -25.32 59.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.438 0.533 . . . . 3.49 112.438 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.798 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 72.3 mmtt -69.24 -39.06 78.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.412 0.625 . . . . 3.82 110.413 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.361 0 CA-C-O 118.804 -0.998 . . . . 4.46 112.499 -172.119 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.457 -0.629 0 N-CA-C 110.915 -0.456 . . . . 5.29 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 44.8 mt-10 -59.42 -27.84 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 5.14 111.16 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.46 -34.84 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 5.19 111.613 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.1 ttpp -95.61 -29.88 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 6.27 110.754 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 60.4 t80 -61.74 -32.3 72.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.256 0.622 . . . . 3.24 111.832 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB ' ' B' ' 132' ' ' ILE . 56.5 tp -65.35 -54.99 27.99 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 112.008 0.373 . . . . 3.18 112.008 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' B' ' 108' ' ' MET . 38.8 Cg_endo -63.54 -27.7 69.94 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.208 1.939 . . . . 3.51 112.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 5.7 mm-40 -61.23 -47.08 87.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.275 0.559 . . . . 3.71 109.649 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.8 -44.98 95.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.902 -1.044 . . . . 1.63 110.987 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 26.1 ptm -62.64 -36.75 83.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 2.67 110.983 -178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.16 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 1.6 111.1 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 120' ' ' HIS . 32.7 mt-10 -65.96 -40.22 91.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.527 0.68 . . . . 1.49 109.424 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.7 tttm -56.77 -53.31 59.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.001 -1.454 . . . . 1.89 111.514 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -8.25 57.93 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.121 0.415 . . . . 3.08 112.121 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 46.1 m -104.67 -14.55 15.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.429 . . . . 0.55 111.418 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 1.033 HD11 HD11 ' A' ' 114' ' ' LEU . 9.3 tp -79.38 143.77 34.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.26 -0.427 . . . . 0.3 110.14 -177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.43 133.66 59.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 1.23 110.66 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.518 ' HA ' ' HG3' ' B' ' 122' ' ' MET . 33.6 Cg_endo -61.16 -15.91 42.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.905 3.07 . . . . 0.55 113.895 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 19.9 m -61.05 -22.29 64.44 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.16 0.505 . . . . 1.3 110.299 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 58.4 m-85 -94.57 83.15 4.06 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.796 -0.816 . . . . 1.23 108.796 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 85.2 m -57.99 -54.31 48.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.759 . . . . 0.48 112.114 -173.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.557 ' HB2' ' OE2' ' A' ' 110' ' ' GLU . 90.1 m-70 -70.53 -37.87 74.16 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.052 -175.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.27 -41.55 89.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.68 0.753 . . . . 0.47 110.459 175.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.599 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.6 -39.74 73.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.737 -1.119 . . . . 0.63 110.544 177.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.43 ' HB3' ' HA ' ' B' ' 120' ' ' HIS . 13.0 tt0 -69.22 -42.07 76.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.897 -1.047 . . . . 1.76 111.783 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.31 -35.88 80.33 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.898 -0.321 . . . . 0.83 110.681 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 121' ' ' ALA . 27.8 mt -64.18 -38.93 92.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.52 109.258 174.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.4 m -65.32 -47.41 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.46 -0.791 . . . . 1.07 110.434 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.239 -0.892 . . . . 1.38 112.277 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.491 ' O ' HG13 ' B' ' 132' ' ' ILE . 3.1 tp10 -60.98 -38.51 86.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.287 0.565 . . . . 2.01 110.419 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.415 HD12 ' HD2' ' B' ' 111' ' ' LYS . 95.8 mt -65.44 -41.31 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.588 -0.733 . . . . 1.92 110.131 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.79 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 33.3 mt-10 -57.87 -43.49 86.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.077 -0.51 . . . . 2.25 109.892 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -57.97 -46.9 84.42 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.945 0.402 . . . . 3.73 111.114 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.552 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.0 mt -68.79 -41.56 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.981 -0.554 . . . . 2.98 110.796 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.19 -25.5 59.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.486 0.55 . . . . 3.49 112.486 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.79 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 72.1 mmtt -68.87 -39.47 79.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.185 0.517 . . . . 3.82 110.482 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.554 0 CA-C-O 118.648 -1.084 . . . . 4.46 112.394 -171.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.568 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.189 0.412 . . . . 5.29 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -34.27 76.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.155 -0.929 . . . . 5.13 112.952 -163.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -86.28 -44.42 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.249 -0.282 . . . . 5.19 110.422 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.568 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 14.3 mptt -56.32 -10.5 0.92 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.575 0.583 . . . . 6.27 112.575 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.496 ' CE2' HD11 ' A' ' 107' ' ' LEU . 71.1 t80 -60.11 -32.73 71.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.924 0.392 . . . . 3.24 110.466 170.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 129' ' ' ILE . 53.7 tp -66.67 -54.08 24.82 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.946 -0.57 . . . . 3.18 112.22 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.774 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 37.1 Cg_endo -61.88 -28.77 81.58 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.022 1.814 . . . . 3.51 112.358 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.91 -45.95 91.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.256 0.551 . . . . 3.7 109.97 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' A' ' 103' ' ' TYR . 84.4 mt -62.52 -45.69 91.83 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.442 -0.799 . . . . 1.63 110.984 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.774 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 22.2 ptp -65.5 -35.11 79.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 2.67 111.406 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.36 -45.97 68.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.869 -0.333 . . . . 1.6 110.945 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 61.4 mt-10 -66.76 -41.66 87.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.52 0.676 . . . . 1.49 109.775 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HA ' HD13 ' A' ' 125' ' ' LEU . 28.2 tttm -56.53 -53.38 58.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.272 -1.331 . . . . 1.89 111.69 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -7.82 58.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.056 0.391 . . . . 3.08 112.056 -173.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 61.4 m -104.6 -13.9 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.55 111.634 178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' B' ' 114' ' ' LEU . 10.3 tp -74.02 144.22 45.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.201 -0.454 . . . . 0.31 110.49 -175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.92 130.23 88.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.352 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.734 ' HA ' ' SD ' ' A' ' 122' ' ' MET . 35.1 Cg_endo -61.64 -16.57 49.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.408 2.739 . . . . 0.55 113.481 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.4 t -60.02 -26.07 65.81 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.008 0.432 . . . . 1.3 110.19 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 122' ' ' MET . 52.6 m-85 -93.42 82.34 4.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.566 -0.531 . . . . 1.23 109.566 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.1 m -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.661 -0.7 . . . . 0.48 112.132 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.557 0.218 . . . . 1.47 110.967 -175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.76 -42.56 89.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.389 0.614 . . . . 0.47 110.479 176.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 116' ' ' PRO . 10.6 mtp -71.41 -36.35 71.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.003 -0.999 . . . . 0.63 110.413 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -68.86 -44.73 72.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.34 -0.845 . . . . 1.76 111.631 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.24 -36.09 80.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.628 0.251 . . . . 0.83 110.686 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 121' ' ' ALA . 26.2 mt -62.92 -39.09 93.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.52 109.412 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 74.3 m -67.93 -46.16 72.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.442 -0.799 . . . . 1.07 110.248 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -61.61 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.38 112.414 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 132' ' ' ILE . 35.0 tp10 -64.81 -38.01 89.54 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.029 0.443 . . . . 2.02 110.863 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 104' ' ' LEU . 92.8 mt -62.2 -40.19 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.578 -0.737 . . . . 1.92 110.028 176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.768 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 50.9 mt-10 -56.44 -45.56 80.73 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.527 -0.76 . . . . 2.25 110.065 176.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.06 -46.35 89.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.61 0.243 . . . . 3.73 110.941 -175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 104' ' ' LEU . 13.8 mt -65.99 -42.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 2.98 110.813 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -74.58 -42.32 58.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 3.49 111.993 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.768 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.3 ptpt -77.07 -39.42 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.275 -0.17 . . . . 3.82 111.393 -174.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.972 0 CA-C-O 118.78 -1.011 . . . . 4.46 111.685 -177.009 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.58 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 121.24 0.433 . . . . 5.29 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.1 -34.08 75.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.06 -0.973 . . . . 5.14 112.987 -164.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -86.52 -44.27 12.08 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 122.189 -0.32 . . . . 5.19 110.377 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 14.3 mptt -56.36 -10.81 1.0 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.424 0.528 . . . . 6.27 112.424 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' B' ' 107' ' ' LEU . 71.2 t80 -59.96 -32.81 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.888 0.375 . . . . 3.24 110.418 170.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 129' ' ' ILE . 54.2 tp -66.52 -54.11 25.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.933 -0.576 . . . . 3.18 112.306 -177.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.788 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 37.4 Cg_endo -61.69 -28.83 82.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.133 1.889 . . . . 3.51 112.463 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.13 -45.7 92.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.091 0.472 . . . . 3.71 109.872 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' B' ' 103' ' ' TYR . 83.6 mt -62.7 -45.54 92.3 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.377 -0.829 . . . . 1.63 111.21 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.788 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.9 ptp -65.35 -35.51 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.37 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.99 68.89 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.72 -0.392 . . . . 1.6 110.88 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 61.7 mt-10 -66.87 -41.52 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.59 0.71 . . . . 1.49 109.642 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' B' ' 125' ' ' LEU . 28.0 tttm -56.52 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.215 -1.357 . . . . 1.89 111.592 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -7.9 58.76 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.97 0.359 . . . . 3.08 111.97 -173.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 62.7 m -104.43 -14.2 15.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 0.55 111.626 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.792 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -73.5 144.53 46.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.3 110.49 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.2 130.36 88.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 1.23 110.488 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.735 ' HA ' ' SD ' ' B' ' 122' ' ' MET . 34.6 Cg_endo -61.73 -17.1 52.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.416 2.744 . . . . 0.55 113.431 -176.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t -59.65 -25.91 65.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.075 0.464 . . . . 1.3 110.405 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' B' ' 122' ' ' MET . 53.3 m-85 -93.5 81.93 4.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.544 -0.539 . . . . 1.23 109.544 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 96.0 m -59.72 -52.76 64.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.48 112.295 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.721 -0.218 . . . . 1.47 111.145 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.52 -42.64 88.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.425 0.631 . . . . 0.47 110.561 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.735 ' SD ' ' HA ' ' B' ' 116' ' ' PRO . 10.1 mtp -71.59 -36.06 70.74 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.034 -0.985 . . . . 0.63 110.341 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -69.03 -44.56 72.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.196 -0.911 . . . . 1.76 111.587 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.31 -36.03 80.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.625 0.25 . . . . 0.83 110.758 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 121' ' ' ALA . 24.8 mt -63.1 -38.97 93.3 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.403 -0.591 . . . . 0.52 109.403 175.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.5 m -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.311 -0.859 . . . . 1.07 110.227 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -61.63 -43.11 99.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.45 -0.795 . . . . 1.38 112.325 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 132' ' ' ILE . 32.5 tp10 -65.03 -37.69 88.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 2.01 110.854 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 104' ' ' LEU . 93.4 mt -62.59 -40.28 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.441 -0.8 . . . . 1.92 109.872 176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.789 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 51.4 mt-10 -56.2 -45.73 79.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.594 -0.73 . . . . 2.25 110.169 176.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -60.23 -45.77 92.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.745 0.307 . . . . 3.73 110.925 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.55 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.9 mt -66.36 -42.65 90.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.143 0.497 . . . . 2.98 110.74 -178.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.47 -42.51 58.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.767 -0.651 . . . . 3.49 111.839 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.789 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.3 ptpt -76.88 -39.66 50.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.573 0.225 . . . . 3.82 111.483 -174.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.724 0 CA-C-O 118.842 -0.977 . . . . 4.46 111.842 -176.877 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 102' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 109.819 -0.877 . . . . 5.29 109.819 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.36 -33.12 75.1 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.895 0.702 . . . . 5.13 112.895 -165.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -89.73 -47.59 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.33 0.586 . . . . 5.19 110.438 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.582 ' HB2' ' HG2' ' A' ' 99' ' ' PRO . 42.8 mtmt -73.02 13.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 6.27 112.991 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 107' ' ' LEU . 49.5 t80 -64.76 -27.66 69.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.794 0.807 . . . . 3.24 108.989 161.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' A' ' 132' ' ' ILE . 48.9 tp -65.42 -54.86 28.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 114.508 -1.223 . . . . 3.18 112.608 -177.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.63 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.6 Cg_endo -61.3 -28.3 84.35 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.445 2.096 . . . . 3.51 112.419 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.25 -44.87 95.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.346 0.593 . . . . 3.7 109.939 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 103' ' ' TYR . 78.3 mt -62.43 -45.3 93.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.169 -0.923 . . . . 1.63 110.814 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.4 ptm -64.91 -35.95 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 2.67 111.114 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.31 -45.94 68.32 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.868 -0.333 . . . . 1.6 110.964 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 60.8 mt-10 -65.23 -40.72 94.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.607 0.718 . . . . 1.49 109.421 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HA ' HD13 ' A' ' 125' ' ' LEU . 23.7 tttm -57.67 -53.07 62.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.216 -1.356 . . . . 1.89 111.582 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -9.53 58.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.115 0.413 . . . . 3.08 112.115 -174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.411 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.9 m -103.21 -22.79 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.68 0.276 . . . . 0.55 111.44 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' B' ' 114' ' ' LEU . 7.7 tp -69.69 143.56 53.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 0.31 110.354 -176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.1 134.64 67.46 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 1.23 110.704 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.52 -15.88 48.59 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.887 3.058 . . . . 0.55 113.869 -175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.1 p -62.08 -21.52 65.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.99 0.424 . . . . 1.3 110.869 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 41.9 m-85 -94.74 83.42 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.078 -0.712 . . . . 1.23 109.078 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -56.58 -55.61 31.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.517 -0.765 . . . . 0.48 112.121 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -70.14 -38.74 75.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.604 -0.271 . . . . 1.47 111.475 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.05 -41.56 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.519 0.676 . . . . 0.47 110.403 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.609 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.57 -38.57 74.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.894 -1.048 . . . . 0.63 110.719 177.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -68.73 -43.89 74.96 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.241 -0.89 . . . . 1.76 111.612 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.33 -36.04 80.63 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.905 -0.318 . . . . 0.83 110.936 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.5 mt -62.95 -38.41 90.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.52 109.517 175.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.496 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 98.9 m -67.15 -46.92 72.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.345 -0.843 . . . . 1.07 110.418 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.31 93.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.311 -0.859 . . . . 1.38 112.598 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 132' ' ' ILE . 38.8 tp10 -62.69 -35.22 78.99 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.231 0.539 . . . . 2.02 110.241 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.76 -43.08 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.92 110.754 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -59.9 -38.02 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.529 0.681 . . . . 2.25 109.757 176.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 74.5 tttt -60.78 -47.05 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.71 -1.132 . . . . 3.73 111.677 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' A' ' 104' ' ' LEU . 11.0 mt -72.55 -43.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.832 0.348 . . . . 2.98 111.342 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.03 -22.86 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.951 0.723 . . . . 3.49 112.951 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 131' ' ' LYS . 21.5 pttp -72.31 -28.33 63.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.758 -0.377 . . . . 3.82 110.549 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.542 -1.143 . . . . 4.46 111.354 -175.534 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' B' ' 102' ' ' LYS . 41.8 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 109.863 -0.86 . . . . 5.29 109.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.27 -32.91 74.69 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.977 0.732 . . . . 5.14 112.977 -165.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.96 -47.7 7.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.22 0.533 . . . . 5.19 110.461 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.584 ' HB2' ' HG2' ' B' ' 99' ' ' PRO . 42.9 mtmt -73.16 13.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.509 -0.769 . . . . 6.27 112.944 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.45 ' CE2' HD11 ' B' ' 107' ' ' LEU . 50.4 t80 -64.67 -27.81 69.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.739 0.78 . . . . 3.24 109.017 161.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.584 HD13 ' HB ' ' B' ' 132' ' ' ILE . 46.7 tp -65.21 -55.09 28.2 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 114.558 -1.201 . . . . 3.18 112.622 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.643 ' O ' ' HG2' ' B' ' 108' ' ' MET . 36.8 Cg_endo -61.27 -28.3 84.54 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.449 2.099 . . . . 3.51 112.397 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.36 -44.73 95.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.602 . . . . 3.71 109.8 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' B' ' 103' ' ' TYR . 78.3 mt -62.52 -45.31 93.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.146 -0.934 . . . . 1.63 110.693 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 23.3 ptm -64.77 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 2.67 111.118 -178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.4 -45.9 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.932 -0.307 . . . . 1.6 110.97 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.0 mt-10 -65.19 -40.72 94.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.504 0.669 . . . . 1.49 109.509 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' B' ' 125' ' ' LEU . 23.3 tttm -57.67 -53.08 62.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.204 -1.362 . . . . 1.89 111.503 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -9.16 58.45 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.171 0.434 . . . . 3.08 112.171 -174.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.422 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.0 m -103.36 -22.56 13.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.713 0.292 . . . . 0.55 111.422 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.925 HD11 HD11 ' A' ' 114' ' ' LEU . 7.7 tp -70.08 143.32 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.146 -0.479 . . . . 0.3 110.37 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.55 134.72 65.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.194 -0.457 . . . . 1.23 110.62 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.45 -16.12 49.86 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.811 3.007 . . . . 0.55 113.883 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 53.2 p -61.76 -21.73 64.8 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.116 0.484 . . . . 1.3 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 42.6 m-85 -94.91 83.58 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.044 -0.725 . . . . 1.23 109.044 175.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 54.5 m -56.72 -55.37 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.754 . . . . 0.48 112.223 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -70.34 -38.58 74.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 1.47 111.327 -173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.28 -41.63 89.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.567 0.698 . . . . 0.47 110.335 175.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.603 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.32 -38.64 74.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.847 -1.069 . . . . 0.63 110.672 177.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -69.11 -43.47 74.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.272 -0.876 . . . . 1.76 111.564 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.41 -36.01 80.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.905 -0.318 . . . . 0.83 111.176 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.7 mt -62.88 -38.59 91.48 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.686 -0.487 . . . . 0.52 109.686 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.2 m -67.05 -46.83 73.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.54 -0.755 . . . . 1.07 110.509 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.37 93.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.353 -0.839 . . . . 1.38 112.365 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.529 ' O ' HG13 ' B' ' 132' ' ' ILE . 39.9 tp10 -62.37 -35.41 79.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.29 0.567 . . . . 2.01 110.326 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.68 -42.99 93.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.92 110.813 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -60.05 -38.16 81.98 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-O 121.521 0.677 . . . . 2.25 109.794 176.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 134' ' ' LYS . 74.3 tttt -60.66 -47.02 88.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.692 -1.14 . . . . 3.73 111.466 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' B' ' 104' ' ' LEU . 10.8 mt -72.34 -44.14 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.874 0.369 . . . . 2.98 111.393 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -72.6 -23.13 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.754 0.65 . . . . 3.49 112.754 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 21.5 pttp -71.91 -28.58 63.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 3.82 110.707 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.433 -1.204 . . . . 4.46 111.391 -175.641 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.485 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 57.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.698 0.208 . . . . 5.29 111.777 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 45.3 mt-10 -61.31 -30.16 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 5.13 112.163 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.97 -35.09 79.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.853 0.359 . . . . 5.19 111.122 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.671 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 60.8 tttm -86.56 -38.37 17.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.424 0.631 . . . . 6.27 110.812 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.722 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 48.7 t80 -59.46 -37.07 77.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.887 -1.051 . . . . 3.24 112.271 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 132' ' ' ILE . 55.0 tp -63.52 -55.3 36.01 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 112.634 0.605 . . . . 3.18 112.634 -174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.545 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -61.0 -31.5 91.41 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.014 1.809 . . . . 3.51 111.864 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 32.4 mt-10 -63.05 -42.48 99.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.104 -0.498 . . . . 3.7 110.085 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 67.2 mt -63.06 -45.19 93.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.393 -0.821 . . . . 1.63 110.908 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.545 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 23.0 ptp -64.37 -35.97 82.6 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.401 -178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.23 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.623 0.249 . . . . 1.6 110.901 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 56.9 mt-10 -65.02 -42.06 94.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 1.49 109.562 176.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.574 ' O ' ' HE1' ' A' ' 122' ' ' MET . 48.5 tttp -59.75 -45.77 91.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.43 -1.259 . . . . 1.89 111.183 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.67 -24.36 62.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.672 0.273 . . . . 3.08 111.649 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.409 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.9 m -101.77 -12.89 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.714 0.635 . . . . 0.55 112.714 -174.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' B' ' 114' ' ' LEU . 10.2 tp -77.84 143.91 37.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.77 0.319 . . . . 0.31 110.546 -175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.83 130.94 86.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.55 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.94 -16.53 55.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.342 2.695 . . . . 0.55 113.41 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.6 t -62.75 -21.08 65.56 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.842 0.353 . . . . 1.3 110.472 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.423 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 59.6 m-85 -93.71 83.44 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.109 -0.7 . . . . 1.23 109.109 175.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.7 m -57.88 -53.27 60.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.48 112.255 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -69.96 -39.27 76.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.07 -0.252 . . . . 1.47 111.37 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -59.09 -41.58 88.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.567 0.699 . . . . 0.47 110.377 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.574 ' HE1' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -70.8 -39.01 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.05 -0.977 . . . . 0.63 110.87 178.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.86 -44.23 73.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.331 -0.85 . . . . 1.76 111.448 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.05 -35.71 81.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.288 . . . . 0.83 110.742 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.1 mt -64.94 -38.83 92.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.525 -0.546 . . . . 0.52 109.525 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 85.6 m -71.16 -45.73 62.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.632 -0.713 . . . . 1.07 110.772 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.03 97.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 1.38 111.847 -178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 132' ' ' ILE . 12.4 tp10 -61.36 -37.83 84.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.283 0.563 . . . . 2.02 110.63 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.94 -40.95 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.824 -0.625 . . . . 1.92 110.37 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 43.4 mt-10 -57.78 -42.09 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 2.25 110.232 176.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 134' ' ' LYS . 23.0 tttm -58.69 -49.75 76.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 3.73 111.744 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.582 ' HB ' HD13 ' A' ' 104' ' ' LEU . 5.7 mt -71.9 -38.02 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.771 0.319 . . . . 2.98 111.409 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.29 -22.55 61.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.287 . . . . 3.49 111.651 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 47.3 mtmt -63.93 -41.45 97.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.905 0.383 . . . . 3.82 111.729 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.367 0 C-N-CA 119.949 -1.12 . . . . 4.46 112.47 -171.22 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.496 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 56.9 Cg_endo . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.712 0.214 . . . . 5.29 111.753 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.731 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 45.3 mt-10 -61.23 -30.18 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.56 . . . . 5.14 112.235 -174.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.71 -35.16 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.882 0.372 . . . . 5.19 111.32 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.678 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 60.7 tttm -86.68 -38.24 17.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.674 . . . . 6.27 110.762 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.731 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 48.8 t80 -59.36 -37.33 77.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.946 -1.024 . . . . 3.24 112.267 -176.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' B' ' 132' ' ' ILE . 55.5 tp -63.63 -55.24 36.01 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.648 0.61 . . . . 3.18 112.648 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 36.3 Cg_endo -60.81 -31.87 92.21 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.898 1.732 . . . . 3.51 111.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 32.1 mt-10 -62.79 -42.3 99.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 3.71 110.331 175.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 68.3 mt -62.95 -45.39 92.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.517 -0.765 . . . . 1.63 110.844 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 23.0 ptp -64.29 -35.97 82.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 2.67 111.163 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.22 66.6 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.819 -0.352 . . . . 1.6 110.939 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 56.6 mt-10 -64.7 -42.07 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 1.49 109.663 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.579 ' O ' ' HE1' ' B' ' 122' ' ' MET . 48.6 tttp -59.89 -45.78 91.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.416 -1.265 . . . . 1.89 111.1 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -24.66 63.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.653 0.263 . . . . 3.08 111.704 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.1 m -102.0 -12.44 18.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.722 0.638 . . . . 0.55 112.722 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.52 143.43 36.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.875 0.369 . . . . 0.3 110.506 -175.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.33 131.02 87.02 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.671 . . . . 1.23 110.485 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.05 -16.56 55.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.323 2.682 . . . . 0.55 113.407 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.74 -20.91 65.4 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.121 0.486 . . . . 1.3 110.441 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.0 m-85 -93.81 83.18 4.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.178 -0.675 . . . . 1.23 109.178 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.7 m -57.62 -53.09 62.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.373 -0.83 . . . . 0.48 112.331 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -70.01 -39.26 75.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.189 -0.205 . . . . 1.47 111.317 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.34 -41.52 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.513 0.673 . . . . 0.47 110.279 175.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.579 ' HE1' ' O ' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -70.81 -39.21 73.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.112 -0.949 . . . . 0.63 110.839 178.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.71 -44.24 74.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.364 -0.834 . . . . 1.76 111.53 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.86 -35.78 81.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.716 0.294 . . . . 0.83 110.821 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.2 mt -64.68 -39.07 93.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.544 -0.539 . . . . 0.52 109.544 176.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 78.6 m -71.11 -45.77 63.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.42 -0.809 . . . . 1.07 110.603 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.28 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.38 111.947 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 132' ' ' ILE . 12.5 tp10 -61.17 -37.98 84.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.268 0.556 . . . . 2.01 110.609 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.9 mt -65.09 -41.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.776 -0.647 . . . . 1.92 110.324 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 43.3 mt-10 -57.41 -42.15 81.73 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.297 -0.411 . . . . 2.25 110.347 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' B' ' 134' ' ' LYS . 23.2 tttm -58.88 -49.29 78.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.788 -0.642 . . . . 3.73 111.893 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.591 ' HB ' HD13 ' B' ' 104' ' ' LEU . 5.9 mt -72.41 -37.93 59.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 121.063 -0.255 . . . . 2.98 111.333 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.92 -23.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 3.49 111.593 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 47.4 mtmt -63.52 -41.47 98.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.924 0.392 . . . . 3.82 111.75 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.278 0 C-N-CA 119.924 -1.132 . . . . 4.46 112.554 -171.487 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.235 0.362 0 CA-C-O 121.242 0.434 . . . . 5.29 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.723 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -59.75 -28.31 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.132 -0.94 . . . . 5.13 111.928 -178.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.2 -33.21 73.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 5.19 111.688 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.62 -24.51 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.353 0.596 . . . . 6.27 110.984 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.723 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 59.1 t80 -62.73 -30.89 71.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.495 -0.775 . . . . 3.24 111.61 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD13 ' HB ' ' A' ' 132' ' ' ILE . 59.1 tp -65.89 -54.72 26.3 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 112.178 0.436 . . . . 3.18 112.178 -176.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 34.0 Cg_endo -61.62 -28.96 83.38 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.833 1.689 . . . . 3.51 111.668 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 1.6 mm-40 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 3.7 110.315 173.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 103' ' ' TYR . 76.4 mt -62.16 -45.75 92.01 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.445 -0.798 . . . . 1.63 111.181 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.3 ptp -64.99 -34.97 79.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 2.67 111.246 -178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.65 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 1.6 110.947 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 68.0 mt-10 -65.14 -39.0 92.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.769 0.795 . . . . 1.49 109.397 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HA ' HD13 ' A' ' 125' ' ' LEU . 31.1 tttm -56.17 -52.62 63.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.923 -1.49 . . . . 1.89 111.462 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -77.2 -11.91 59.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.252 -0.431 . . . . 3.08 112.08 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 66.7 m -104.35 -11.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.965 0.358 . . . . 0.55 111.965 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' B' ' 114' ' ' LEU . 10.4 tp -78.01 143.99 37.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.962 0.41 . . . . 0.31 110.338 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 118' ' ' PHE . 12.3 t70 -71.77 130.87 86.44 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.751 -0.659 . . . . 1.23 110.355 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.76 -16.45 55.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.399 2.733 . . . . 0.55 113.219 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.3 t -64.05 -20.87 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 1.3 110.598 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 54.6 m-85 -93.3 83.01 4.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.957 -0.757 . . . . 1.23 108.957 176.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 88.6 m -60.3 -51.42 69.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.523 -0.762 . . . . 0.48 111.997 -174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 86.4 m-70 -69.86 -41.05 75.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.094 -175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.88 -40.74 85.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.499 0.666 . . . . 0.47 110.58 175.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.29 -38.15 74.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.052 -0.976 . . . . 0.63 110.9 177.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.9 -42.38 76.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 1.76 111.19 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.1 mt -66.19 -35.54 80.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.879 -0.328 . . . . 0.83 110.566 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' B' ' 121' ' ' ALA . 25.2 mt -66.26 -39.31 89.37 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.392 -0.595 . . . . 0.52 109.392 175.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 93.4 m -66.04 -47.34 74.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.554 -0.748 . . . . 1.07 110.604 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.95 95.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.36 -0.836 . . . . 1.38 111.87 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 132' ' ' ILE . 13.1 tp10 -63.46 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 2.02 110.737 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.38 -42.31 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.216 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 45.4 mt-10 -57.4 -42.19 81.78 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.755 -0.657 . . . . 2.25 109.922 174.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.62 -44.45 93.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.428 -0.806 . . . . 3.73 111.676 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.571 ' HB ' HD13 ' A' ' 104' ' ' LEU . 8.6 mt -72.24 -39.95 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.83 0.348 . . . . 2.98 110.984 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.82 -33.87 64.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.22 0.452 . . . . 3.49 112.22 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' A' ' 130' ' ' GLU . 16.0 ptpt -83.66 -10.54 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 3.82 111.355 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.686 -1.063 . . . . 4.46 112.268 178.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 121.251 0.438 . . . . 5.29 112.783 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -60.41 -28.26 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.97 -1.014 . . . . 5.14 111.92 -178.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' B' ' 101' ' ' ASN . 2.5 t-20 -60.93 -33.36 73.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.702 -0.681 . . . . 5.19 111.821 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -99.47 -24.33 14.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.28 0.562 . . . . 6.27 111.084 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 59.1 t80 -63.01 -31.13 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.78 . . . . 3.24 111.497 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' B' ' 132' ' ' ILE . 59.1 tp -65.83 -54.52 28.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.346 0.498 . . . . 3.18 112.346 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 32.7 Cg_endo -61.71 -28.74 82.58 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.78 1.653 . . . . 3.51 111.79 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 1.6 mm-40 -61.29 -45.79 93.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.01 -0.541 . . . . 3.71 110.248 173.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' B' ' 103' ' ' TYR . 77.3 mt -62.15 -45.81 91.78 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.457 -0.792 . . . . 1.63 111.234 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.663 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.1 ptp -64.94 -35.22 80.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 2.67 111.258 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.41 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.832 -0.347 . . . . 1.6 111.015 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 68.1 mt-10 -65.25 -39.13 92.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.762 0.791 . . . . 1.49 109.504 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' B' ' 125' ' ' LEU . 31.6 tttm -56.03 -52.69 63.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.9 -1.5 . . . . 1.89 111.605 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.34 -11.46 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.349 -0.387 . . . . 3.08 111.896 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 71.2 m -104.43 -11.59 16.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.9 0.333 . . . . 0.55 111.9 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.94 HD11 HD11 ' A' ' 114' ' ' LEU . 10.2 tp -78.42 143.95 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.3 110.388 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' B' ' 118' ' ' PHE . 12.7 t70 -71.74 130.9 86.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.322 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.55 -16.48 55.41 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.377 2.718 . . . . 0.55 113.233 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 25.4 t -64.42 -20.54 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 1.3 110.606 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' B' ' 115' ' ' ASP . 53.3 m-85 -93.41 82.77 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.088 -0.708 . . . . 1.23 109.088 176.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -51.45 69.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.32 -0.855 . . . . 0.48 111.934 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 86.0 m-70 -69.99 -41.0 74.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.469 -0.332 . . . . 1.47 111.057 -174.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.9 -40.73 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.486 0.66 . . . . 0.47 110.415 175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.613 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -38.57 75.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.63 110.719 177.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.72 -42.45 77.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.741 -0.663 . . . . 1.76 111.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.03 -35.59 80.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.774 0.321 . . . . 0.83 110.634 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 121' ' ' ALA . 25.6 mt -66.39 -39.35 88.98 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.341 -0.615 . . . . 0.52 109.341 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 91.1 m -66.0 -47.37 74.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.542 -0.753 . . . . 1.07 110.591 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.25 94.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.519 -0.764 . . . . 1.38 111.816 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.549 ' O ' HG13 ' B' ' 132' ' ' ILE . 13.7 tp10 -63.14 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 2.01 110.801 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 104' ' ' LEU . 96.0 mt -65.63 -42.18 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.19 -0.459 . . . . 1.92 110.118 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' B' ' 134' ' ' LYS . 45.6 mt-10 -57.41 -42.16 81.74 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.812 -0.631 . . . . 2.25 110.014 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -63.61 -44.64 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.406 -0.815 . . . . 3.73 111.656 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.559 ' HB ' HD13 ' B' ' 104' ' ' LEU . 8.5 mt -71.95 -40.34 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 2.98 110.993 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.33 -34.57 65.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 3.49 112.097 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.573 ' HE3' ' HB3' ' B' ' 130' ' ' GLU . 16.0 ptpt -83.16 -10.88 58.38 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 121.056 -0.257 . . . . 3.82 111.476 -175.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.536 -1.147 . . . . 4.46 111.994 179.075 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.458 -0.579 0 N-CA-C 111.122 -0.376 . . . . 5.29 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 2.9 mp0 -58.32 -27.41 64.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.397 -0.819 . . . . 5.13 111.439 -174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -59.25 -37.79 78.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 5.19 111.449 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 94.1 mttt -103.37 -25.01 13.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 6.27 111.195 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.636 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 53.2 t80 -63.59 -29.55 70.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.675 -0.693 . . . . 3.24 111.036 174.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 132' ' ' ILE . 59.8 tp -65.19 -55.38 26.56 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.643 0.609 . . . . 3.18 112.643 -177.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.604 ' O ' ' HG2' ' A' ' 108' ' ' MET . 36.0 Cg_endo -60.93 -30.16 89.44 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.202 1.934 . . . . 3.51 112.073 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 23.5 mt-10 -62.03 -44.08 97.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.137 0.494 . . . . 3.7 110.165 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 103' ' ' TYR . 73.2 mt -62.38 -45.61 92.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.32 -0.855 . . . . 1.63 110.992 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 23.9 ptm -64.64 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 2.67 111.229 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.68 -46.2 66.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.821 -0.352 . . . . 1.6 111.061 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 57.7 mt-10 -64.21 -41.14 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.754 0.788 . . . . 1.49 109.508 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' A' ' 125' ' ' LEU . 22.6 tttm -56.13 -53.5 56.32 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.707 -1.588 . . . . 1.89 111.813 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.76 -7.95 58.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.609 -0.437 . . . . 3.08 111.796 -173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 48.7 m -103.47 -8.59 20.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.55 111.1 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' B' ' 114' ' ' LEU . 9.9 tp -84.1 143.86 29.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 0.31 110.208 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -71.5 131.88 86.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.38 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.99 -16.28 54.01 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.544 2.829 . . . . 0.55 113.45 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 t -63.14 -20.29 65.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.903 0.383 . . . . 1.3 110.879 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 59.5 m-85 -94.05 83.81 4.38 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 1.23 109.265 176.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.6 m -57.23 -54.72 43.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.515 -0.766 . . . . 0.48 112.023 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -70.18 -39.72 75.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.226 -0.19 . . . . 1.47 111.473 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.92 -41.69 87.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 0.47 110.251 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.7 -38.0 73.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.929 -1.032 . . . . 0.63 110.717 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.11 -44.15 73.02 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.414 -0.812 . . . . 1.76 111.603 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.57 -35.57 79.27 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.902 -0.319 . . . . 0.83 110.897 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.6 mt -63.2 -39.04 93.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.457 -0.571 . . . . 0.52 109.457 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 90.0 m -68.58 -46.49 69.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 1.07 110.424 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.86 95.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.471 -0.786 . . . . 1.38 112.141 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 132' ' ' ILE . 9.4 tp10 -61.23 -37.59 83.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.294 0.568 . . . . 2.02 110.586 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 104' ' ' LEU . 95.4 mt -64.06 -41.37 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.63 -0.714 . . . . 1.92 110.224 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.731 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 51.3 mt-10 -58.48 -40.99 84.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 2.25 110.443 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.97 -45.84 90.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 3.73 111.439 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.2 mt -69.83 -41.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 2.98 111.056 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -66.23 -22.4 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.013 -0.539 . . . . 3.49 111.734 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.731 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 67.7 mttm -64.51 -32.44 74.08 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.831 0.348 . . . . 3.82 111.204 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 118.867 -0.963 . . . . 4.46 112.993 -170.467 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 CA-C-O 121.012 0.338 . . . . 5.29 111.243 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 2.6 mp0 -58.19 -27.37 63.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.412 -0.813 . . . . 5.14 111.406 -174.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.54 -37.5 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.005 -0.543 . . . . 5.19 111.331 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 93.7 mttt -103.52 -24.98 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.144 0.497 . . . . 6.27 111.27 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.63 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 52.6 t80 -63.7 -29.5 70.72 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.649 -0.705 . . . . 3.24 110.999 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.596 HD13 ' HB ' ' B' ' 132' ' ' ILE . 59.7 tp -65.09 -55.67 25.27 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.414 0.524 . . . . 3.18 112.414 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' B' ' 108' ' ' MET . 35.8 Cg_endo -60.65 -30.19 89.96 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.065 1.843 . . . . 3.51 112.124 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 102' ' ' LYS . 23.6 mt-10 -62.01 -44.1 97.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.236 0.541 . . . . 3.71 110.074 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.474 HD11 ' CE1' ' B' ' 103' ' ' TYR . 73.5 mt -62.42 -45.92 90.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 1.63 110.886 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 105' ' ' PRO . 24.2 ptm -64.56 -35.93 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 2.67 111.172 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.35 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 1.6 111.029 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 57.8 mt-10 -64.1 -41.4 97.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.672 0.749 . . . . 1.49 109.478 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.62 ' HA ' HD13 ' B' ' 125' ' ' LEU . 22.5 tttm -55.97 -53.64 54.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.837 -1.529 . . . . 1.89 111.737 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.58 -7.65 58.66 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.591 -0.443 . . . . 3.08 111.76 -173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 51.4 m -103.81 -8.57 19.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.55 111.241 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 114' ' ' LEU . 9.8 tp -83.42 144.4 29.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.3 110.114 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.4 131.71 84.56 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 1.23 110.28 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -63.88 -16.47 54.99 Favored 'Trans proline' 0 N--CA 1.472 0.264 0 C-N-CA 123.43 2.754 . . . . 0.55 113.481 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -63.07 -20.2 65.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.789 0.328 . . . . 1.3 110.907 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' ALA . 60.1 m-85 -93.9 83.67 4.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.328 -0.619 . . . . 1.23 109.328 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 88.0 m -57.24 -54.32 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.717 . . . . 0.48 112.062 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -70.64 -39.57 73.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.422 0.156 . . . . 1.47 111.422 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.74 87.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.684 . . . . 0.47 110.328 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.605 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.49 -38.13 74.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.811 -1.086 . . . . 0.63 110.802 177.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -69.15 -44.19 72.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.268 -0.878 . . . . 1.76 111.695 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 45.1 mt -67.34 -35.66 79.84 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.946 -0.302 . . . . 0.83 110.84 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.5 mt -63.49 -38.7 92.16 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.47 -0.567 . . . . 0.52 109.47 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 93.5 m -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.286 -0.87 . . . . 1.07 110.456 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 1.38 112.113 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 132' ' ' ILE . 9.9 tp10 -61.26 -37.41 83.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.17 0.51 . . . . 2.01 110.635 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.509 HG23 HD11 ' B' ' 104' ' ' LEU . 95.4 mt -64.07 -41.54 92.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.64 -0.709 . . . . 1.92 110.165 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.72 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 51.5 mt-10 -58.32 -41.08 83.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.761 -0.654 . . . . 2.25 110.328 176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.25 -45.5 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 3.73 111.357 -177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.596 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.5 mt -70.26 -40.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.457 -0.338 . . . . 2.98 111.075 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.61 -22.54 66.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 3.49 111.76 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.72 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 67.8 mttm -64.45 -32.13 73.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.824 0.345 . . . . 3.82 111.484 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.161 0 CA-C-O 118.746 -1.03 . . . . 4.46 112.8 -171.183 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 N-CA-C 111.27 -0.319 . . . . 5.29 111.27 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.843 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 30.0 mt-10 -63.19 -18.78 63.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.982 -0.554 . . . . 5.13 111.068 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.6 -37.69 73.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 5.19 111.171 173.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -105.42 -19.27 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 6.27 111.467 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 60.9 t80 -64.56 -29.32 70.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.118 0.567 . . . . 3.24 110.528 173.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 132' ' ' ILE . 66.7 tp -63.52 -55.31 36.01 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.321 -0.4 . . . . 3.18 111.992 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.8 Cg_endo -62.28 -28.86 79.37 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.868 1.712 . . . . 3.51 111.817 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.11 -46.39 90.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.204 0.526 . . . . 3.7 109.976 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 103' ' ' TYR . 88.6 mt -63.59 -45.71 89.15 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.484 -0.78 . . . . 1.63 111.141 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.722 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 2.67 111.224 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -46.42 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.88 -0.328 . . . . 1.6 110.853 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 59.5 mt-10 -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.581 0.705 . . . . 1.49 109.585 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.534 ' O ' ' HE1' ' A' ' 122' ' ' MET . 49.1 tttp -60.41 -47.46 85.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.427 -1.261 . . . . 1.89 111.048 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.23 -27.64 64.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.631 -0.259 . . . . 3.08 111.676 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.421 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 50.8 m -94.22 -20.05 20.18 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.32 0.489 . . . . 0.55 112.32 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' B' ' 114' ' ' LEU . 8.8 tp -71.67 143.54 49.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.856 0.36 . . . . 0.31 110.517 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.73 130.66 83.11 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.839 -0.619 . . . . 1.23 110.408 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -61.93 -16.27 48.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.604 2.869 . . . . 0.55 113.128 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 m -60.29 -22.52 63.23 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.158 0.504 . . . . 1.3 110.709 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' B' ' 113' ' ' SER . 55.0 m-85 -95.0 84.95 4.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.052 -0.721 . . . . 1.23 109.052 176.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.8 m -58.98 -52.97 63.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.67 . . . . 0.48 112.068 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 80.2 m-70 -70.58 -39.54 73.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.697 -0.229 . . . . 1.47 111.244 -174.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.78 -41.74 87.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.663 0.744 . . . . 0.47 110.212 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.584 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.95 -37.77 72.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.853 -1.067 . . . . 0.63 110.926 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.55 -44.39 74.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.587 -0.733 . . . . 1.76 111.334 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.69 -36.35 82.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.89 -0.324 . . . . 0.83 110.763 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' B' ' 121' ' ' ALA . 18.8 mt -64.14 -38.88 92.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.268 0.556 . . . . 0.52 109.566 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 71.9 m -69.48 -45.91 67.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.323 -0.853 . . . . 1.07 110.54 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.588 -0.733 . . . . 1.38 111.855 -177.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 132' ' ' ILE . 7.1 tp10 -61.17 -38.09 85.25 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.114 0.483 . . . . 2.02 110.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.56 -41.59 92.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 1.92 110.285 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 126' ' ' THR . 47.6 mt-10 -57.51 -40.57 79.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 2.25 110.318 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -65.57 -44.22 87.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.657 . . . . 3.73 111.377 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.4 mt -68.77 -41.69 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.929 0.395 . . . . 2.98 110.838 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 16.0 mm-40 -63.51 -40.96 98.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 3.49 111.499 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 13.9 ptmm? -74.32 -39.78 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.931 0.396 . . . . 3.82 110.781 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.55 -1.139 . . . . 4.46 111.723 -176.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.46 -0.468 0 N-CA-C 111.335 -0.294 . . . . 5.29 111.335 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.87 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 30.7 mt-10 -63.25 -18.49 63.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.553 . . . . 5.14 111.19 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.83 -37.22 73.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.505 -0.77 . . . . 5.19 111.073 173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.79 -19.37 13.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 6.27 111.61 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.87 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 61.2 t80 -64.14 -29.49 70.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 3.24 110.653 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.609 HD13 ' HB ' ' B' ' 132' ' ' ILE . 66.7 tp -63.36 -55.54 34.82 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.327 -0.397 . . . . 3.18 112.017 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.744 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 35.9 Cg_endo -62.27 -28.7 79.27 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.907 1.738 . . . . 3.51 111.799 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 2.9 mm-40 -61.06 -46.56 90.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.212 0.53 . . . . 3.71 109.976 173.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.585 HD11 ' CE2' ' B' ' 103' ' ' TYR . 89.4 mt -63.67 -45.63 89.25 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.352 -0.84 . . . . 1.63 111.017 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.744 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.4 ptp -64.87 -35.52 81.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.454 -0.339 . . . . 2.67 111.267 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.693 -0.403 . . . . 1.6 110.915 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 60.2 mt-10 -65.71 -39.67 91.45 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 121.519 0.676 . . . . 1.49 109.506 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.537 ' O ' ' HE1' ' B' ' 122' ' ' MET . 49.2 tttp -60.66 -47.24 87.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.416 -1.266 . . . . 1.89 111.22 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -27.47 64.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.816 0.341 . . . . 3.08 111.559 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' A' ' 118' ' ' PHE . 50.5 m -94.68 -19.32 20.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.47 0.544 . . . . 0.55 112.47 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.912 HD11 HD11 ' A' ' 114' ' ' LEU . 8.9 tp -72.43 143.62 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.837 0.351 . . . . 0.3 110.541 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.41 130.39 84.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.443 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -61.72 -16.26 47.53 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.608 2.872 . . . . 0.55 113.335 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.1 m -60.7 -21.76 63.22 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.034 0.445 . . . . 1.3 110.71 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.421 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 53.7 m-85 -95.19 84.69 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 1.23 109.138 176.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 97.0 m -58.69 -52.88 63.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.683 -0.69 . . . . 0.48 112.12 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -70.78 -39.51 73.13 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 121.158 -0.217 . . . . 1.47 111.247 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.89 -41.42 87.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.545 0.688 . . . . 0.47 110.309 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.581 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -71.06 -37.61 72.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.84 -1.073 . . . . 0.63 110.909 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.64 -44.37 74.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.46 -0.791 . . . . 1.76 111.422 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.97 -36.06 81.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.743 0.306 . . . . 0.83 110.749 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 121' ' ' ALA . 18.9 mt -64.15 -39.19 93.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.496 -0.557 . . . . 0.52 109.496 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 70.1 m -69.41 -45.74 68.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.314 -0.857 . . . . 1.07 110.546 -176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.686 -0.688 . . . . 1.38 111.991 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.491 ' O ' HG13 ' B' ' 132' ' ' ILE . 7.1 tp10 -61.01 -37.99 84.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.105 0.479 . . . . 2.01 110.559 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.72 -41.63 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 1.92 110.351 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.0 mt-10 -57.35 -40.65 78.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 2.25 110.274 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.68 -44.16 87.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.827 -0.624 . . . . 3.73 111.296 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' B' ' 104' ' ' LEU . 14.2 mt -68.81 -41.2 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 2.98 110.936 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' B' ' 133' ' ' GLN . 15.6 mm-40 -64.0 -41.0 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 3.49 111.617 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 130' ' ' GLU . 13.9 ptmm? -74.13 -39.88 63.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 3.82 110.837 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.414 -1.214 . . . . 4.46 111.467 -176.523 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.94 0.308 . . . . 5.29 111.94 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.674 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -58.0 -36.26 72.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.315 -0.857 . . . . 5.13 112.535 -169.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.93 -39.98 79.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 5.19 111.968 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 13.5 mptt -95.14 -26.7 15.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.54 0.686 . . . . 6.27 110.101 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.674 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 56.4 t80 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 124.295 1.038 . . . . 3.24 111.31 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 132' ' ' ILE . 55.3 tp -63.28 -57.01 22.46 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.659 0.383 . . . . 3.18 111.976 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 104' ' ' LEU . 33.2 Cg_endo -61.89 -30.62 84.16 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.111 1.874 . . . . 3.51 111.773 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 22.3 mm-40 -63.59 -43.51 96.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.114 0.483 . . . . 3.7 110.462 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 70.8 mt -61.88 -45.31 94.31 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.654 -0.703 . . . . 1.63 110.463 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' A' ' 111' ' ' LYS . 42.2 ttp -65.99 -35.28 80.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.275 -0.875 . . . . 2.67 111.783 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.29 -45.69 68.99 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.73 -0.388 . . . . 1.6 111.007 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -65.15 -38.67 91.33 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 121.847 0.832 . . . . 1.49 108.917 175.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 129' ' ' ILE . 65.4 tttt -57.64 -49.84 75.13 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 113.721 -1.581 . . . . 1.89 111.156 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.1 -23.42 63.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.174 -0.466 . . . . 3.08 111.931 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.3 m -100.2 -16.58 17.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.416 0.525 . . . . 0.55 112.416 -174.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' B' ' 114' ' ' LEU . 9.1 tp -74.43 141.95 44.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.327 -0.397 . . . . 0.31 110.367 -175.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.97 132.34 84.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 1.23 110.264 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.56 -16.37 51.98 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.5 2.8 . . . . 0.55 113.552 -175.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 t -61.51 -22.59 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.983 0.42 . . . . 1.3 110.606 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.433 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 57.1 m-85 -93.34 83.2 4.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.507 -0.553 . . . . 1.23 109.507 177.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 92.0 m -58.51 -50.56 73.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.651 -0.704 . . . . 0.48 111.96 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 83.6 m-70 -69.8 -44.19 70.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.361 -0.382 . . . . 1.47 110.822 -174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.58 -40.64 83.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.403 0.621 . . . . 0.47 110.666 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.52 -39.1 74.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.63 110.752 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.53 -42.1 78.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.792 -0.64 . . . . 1.76 111.236 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.2 -35.62 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.878 -0.329 . . . . 0.83 110.757 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' B' ' 121' ' ' ALA . 30.8 mt -64.66 -38.73 92.01 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.459 -0.571 . . . . 0.52 109.459 174.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 99.9 m -66.39 -47.65 72.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 1.07 110.388 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.258 -0.883 . . . . 1.38 112.183 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 132' ' ' ILE . 2.9 tp10 -61.04 -38.41 86.04 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.171 0.51 . . . . 2.02 110.661 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 111' ' ' LYS . 94.1 mt -65.99 -40.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 1.92 110.171 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 45.0 mt-10 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.471 -0.786 . . . . 2.25 110.34 176.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.77 -44.79 84.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 3.73 111.427 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.535 ' HB ' HD13 ' A' ' 104' ' ' LEU . 14.0 mt -67.41 -40.12 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 2.98 110.716 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -74.42 -23.14 58.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.663 -0.699 . . . . 3.49 111.916 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 57.5 mttp -72.02 -40.87 68.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.047 0.451 . . . . 3.82 111.509 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.228 0 CA-C-O 118.553 -1.137 . . . . 4.46 112.825 -171.873 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.273 . . . . 5.29 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 0.0 OUTLIER -58.2 -36.31 72.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 5.14 112.405 -169.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -57.69 -40.32 79.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 5.19 111.894 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 13.6 mptt -94.94 -26.85 15.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.638 0.732 . . . . 6.27 110.055 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 55.1 t80 -62.92 -33.5 75.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.971 -1.013 . . . . 3.24 111.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.534 HD11 HG23 ' B' ' 129' ' ' ILE . 55.4 tp -63.56 -56.67 24.38 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 122.786 0.434 . . . . 3.18 111.937 -176.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 104' ' ' LEU . 33.3 Cg_endo -62.23 -30.58 81.83 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.114 1.876 . . . . 3.51 111.768 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 22.6 mm-40 -63.46 -43.78 96.35 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.71 110.423 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 71.6 mt -61.64 -45.33 94.52 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.63 110.396 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.455 ' HA ' ' HB3' ' B' ' 111' ' ' LYS . 42.2 ttp -66.04 -35.58 80.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.302 -0.863 . . . . 2.67 111.682 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.72 69.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.608 -0.437 . . . . 1.6 110.957 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 82.4 mt-10 -64.86 -39.08 92.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.823 0.821 . . . . 1.49 108.793 175.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.537 ' HA ' HD13 ' B' ' 125' ' ' LEU . 65.6 tttt -57.29 -49.99 74.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.836 -1.529 . . . . 1.89 111.234 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.23 -23.12 62.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 3.08 111.769 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 29.5 m -100.33 -17.21 17.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.325 0.491 . . . . 0.55 112.325 -174.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.933 HD11 HD11 ' A' ' 114' ' ' LEU . 9.0 tp -73.99 141.89 45.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.656 0.265 . . . . 0.3 110.561 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.77 132.41 85.14 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 1.23 110.251 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -62.47 -16.79 54.27 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.377 2.718 . . . . 0.55 113.616 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -61.19 -22.51 64.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.941 0.401 . . . . 1.3 110.629 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.44 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 56.3 m-85 -93.28 83.21 4.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 1.23 109.509 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -58.43 -50.67 72.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.708 -0.678 . . . . 0.48 111.966 -175.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 83.9 m-70 -69.75 -43.93 71.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.349 -0.387 . . . . 1.47 110.731 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -59.01 -40.34 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.48 0.657 . . . . 0.47 110.671 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.607 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.62 -38.91 73.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.11 -0.95 . . . . 0.63 110.877 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -68.74 -42.34 77.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.856 -0.611 . . . . 1.76 111.193 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.0 mt -66.91 -35.55 80.25 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.885 -0.326 . . . . 0.83 110.848 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 121' ' ' ALA . 30.7 mt -64.76 -38.95 92.71 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.476 -0.564 . . . . 0.52 109.476 174.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 99.3 m -66.18 -47.77 72.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 1.07 110.274 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.0 90.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.287 -0.87 . . . . 1.38 112.307 -176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.505 ' O ' HG13 ' B' ' 132' ' ' ILE . 2.8 tp10 -61.18 -38.42 86.45 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.125 0.488 . . . . 2.01 110.71 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.534 HG23 HD11 ' B' ' 104' ' ' LEU . 94.1 mt -65.97 -40.83 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.7 . . . . 1.92 110.137 177.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 45.7 mt-10 -58.44 -40.5 82.72 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.521 -0.763 . . . . 2.25 110.249 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -65.83 -45.09 83.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 3.73 111.368 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.53 ' HB ' HD13 ' B' ' 104' ' ' LEU . 13.9 mt -67.12 -40.34 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 2.98 110.711 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -74.25 -22.97 59.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.802 -0.635 . . . . 3.49 112.088 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 57.7 mttp -72.13 -41.19 67.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.982 0.42 . . . . 3.82 111.359 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 118.55 -1.139 . . . . 4.46 112.824 -171.792 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--O 1.235 0.333 0 CA-C-O 121.043 0.351 . . . . 5.29 111.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.727 ' HA ' ' HB3' ' A' ' 103' ' ' TYR . 33.6 mt-10 -58.86 -25.19 63.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.326 -0.852 . . . . 5.13 111.576 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.28 -36.17 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 5.19 110.919 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 50.4 mtpt -94.31 -30.7 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.982 0.42 . . . . 6.27 111.023 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.727 ' HB3' ' HA ' ' A' ' 100' ' ' GLU . 74.2 t80 -62.23 -33.02 73.79 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.213 0.605 . . . . 3.24 111.916 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 132' ' ' ILE . 61.3 tp -64.81 -55.68 26.6 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.289 0.477 . . . . 3.18 112.289 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 33.2 Cg_endo -61.81 -28.39 81.59 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.001 1.801 . . . . 3.51 111.617 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.65 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 8.0 mm-40 -60.86 -46.21 91.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.76 -0.655 . . . . 3.7 110.245 174.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 103' ' ' TYR . 89.7 mt -63.85 -45.57 88.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.192 -0.913 . . . . 1.63 111.004 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.686 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.9 ptp -65.48 -35.12 79.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 2.67 111.32 -178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.41 -46.49 66.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.817 -0.353 . . . . 1.6 110.916 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 82.5 mt-10 -66.55 -38.83 87.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.547 0.689 . . . . 1.49 109.491 176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.589 ' O ' ' HE1' ' A' ' 122' ' ' MET . 27.4 tttm -55.67 -53.09 60.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.136 -1.393 . . . . 1.89 111.659 178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.72 -7.35 59.32 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.337 0.495 . . . . 3.08 112.337 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' B' ' 118' ' ' PHE . 47.7 m -104.0 -13.13 16.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 0.55 111.386 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' B' ' 114' ' ' LEU . 10.1 tp -79.62 144.32 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.88 -0.6 . . . . 0.31 110.464 -175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.78 130.48 86.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.333 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.81 -16.73 56.5 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.34 2.694 . . . . 0.55 113.18 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -63.03 -20.15 65.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.92 0.391 . . . . 1.3 110.728 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -93.39 82.44 4.46 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 89.0 m -58.85 -50.54 73.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.589 -0.732 . . . . 0.48 111.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.652 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 79.5 m-70 -70.49 -41.79 72.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.403 -0.362 . . . . 1.47 111.029 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -41.2 85.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.547 0.689 . . . . 0.47 110.397 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.595 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.45 -38.39 74.48 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.834 -1.075 . . . . 0.63 110.703 178.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -68.3 -45.01 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.457 -0.792 . . . . 1.76 111.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.2 -35.37 79.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.812 0.339 . . . . 0.83 110.865 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' B' ' 121' ' ' ALA . 19.0 mt -63.79 -39.15 93.56 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.557 -0.534 . . . . 0.52 109.557 174.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 80.7 m -69.18 -46.38 67.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.43 -0.804 . . . . 1.07 110.46 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.93 95.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 1.38 112.07 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 10.1 tp10 -61.67 -37.57 84.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.045 0.45 . . . . 2.02 110.496 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 125' ' ' LEU . 85.8 mt -63.32 -42.84 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.754 -0.657 . . . . 1.92 110.285 176.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 126' ' ' THR . 48.5 mt-10 -57.42 -39.56 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.18 0.514 . . . . 2.25 110.613 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.552 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 48.3 mtpt -63.21 -42.67 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.456 -0.793 . . . . 3.73 111.258 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 104' ' ' LEU . 7.8 mt -75.07 -40.71 44.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.858 -0.337 . . . . 2.98 110.944 176.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.44 ' NE2' HD21 ' A' ' 104' ' ' LEU . 27.0 mm-40 -57.73 -40.08 78.77 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.315 -0.402 . . . . 3.49 111.698 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 131' ' ' LYS . 18.8 pttp -68.15 -26.54 65.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.292 -0.413 . . . . 3.82 110.992 -178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.857 -0.968 . . . . 4.46 111.152 -174.712 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 C--O 1.235 0.348 0 CA-C-O 121.086 0.369 . . . . 5.29 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' B' ' 103' ' ' TYR . 33.4 mt-10 -58.81 -25.19 62.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 5.14 111.545 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.56 -36.05 79.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 5.19 110.953 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 102' ' ' LYS . 50.6 mtpt -94.41 -30.57 14.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.922 0.391 . . . . 6.27 111.058 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.708 ' HB3' ' HA ' ' B' ' 100' ' ' GLU . 73.8 t80 -62.58 -33.01 74.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 123.208 0.603 . . . . 3.24 111.874 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' B' ' 132' ' ' ILE . 61.4 tp -64.42 -55.77 27.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.295 0.48 . . . . 3.18 112.295 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.7 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.6 Cg_endo -61.89 -28.44 81.21 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.023 1.816 . . . . 3.51 111.499 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.652 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 7.4 mm-40 -60.91 -46.34 91.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.628 . . . . 3.71 110.459 173.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' B' ' 103' ' ' TYR . 88.9 mt -63.42 -45.6 90.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.381 -0.827 . . . . 1.63 111.166 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.7 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.4 ptp -65.29 -35.28 80.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 2.67 111.262 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.55 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.828 -0.349 . . . . 1.6 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 84.4 mt-10 -66.44 -38.78 88.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.593 0.711 . . . . 1.49 109.402 176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.561 ' HA ' HD13 ' B' ' 125' ' ' LEU . 27.4 tttm -55.85 -52.87 62.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.112 -1.404 . . . . 1.89 111.641 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.7 -7.56 59.37 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.452 0.538 . . . . 3.08 112.452 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -103.9 -13.52 16.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 0.55 111.23 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 114' ' ' LEU . 10.1 tp -78.88 144.38 34.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.3 110.542 -175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.88 130.91 86.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 1.23 110.311 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.06 -16.73 56.59 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.406 2.737 . . . . 0.55 113.193 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.6 t -62.96 -20.16 64.98 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.005 0.431 . . . . 1.3 110.649 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.401 ' HE1' ' HB2' ' A' ' 113' ' ' SER . 60.5 m-85 -93.43 82.12 4.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.134 -0.691 . . . . 1.23 109.134 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 94.4 m -58.65 -50.7 72.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.513 -0.767 . . . . 0.48 111.943 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 80.1 m-70 -70.18 -41.6 73.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 1.47 111.194 -175.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.708 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.76 -41.26 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.551 0.691 . . . . 0.47 110.294 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.597 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.4 -38.45 74.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.793 -1.094 . . . . 0.63 110.573 178.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.33 -44.96 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.521 -0.763 . . . . 1.76 111.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.22 -35.24 79.17 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.932 -0.307 . . . . 0.83 110.93 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 121' ' ' ALA . 19.1 mt -63.8 -38.95 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.547 -0.538 . . . . 0.52 109.547 174.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' B' ' 130' ' ' GLU . 78.1 m -69.46 -46.46 66.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.501 -0.772 . . . . 1.07 110.478 -177.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.19 94.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.51 -0.768 . . . . 1.38 112.037 -177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.538 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 10.4 tp10 -61.25 -37.47 83.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.183 0.516 . . . . 2.01 110.584 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 125' ' ' LEU . 86.2 mt -63.41 -42.82 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.714 -0.676 . . . . 1.92 110.205 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' B' ' 126' ' ' THR . 48.4 mt-10 -57.58 -39.76 77.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.067 0.461 . . . . 2.25 110.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 48.0 mtpt -62.76 -42.94 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 3.73 111.392 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' B' ' 104' ' ' LEU . 7.8 mt -75.1 -40.19 44.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.87 0.367 . . . . 2.98 110.943 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.444 ' NE2' HD21 ' B' ' 104' ' ' LEU . 26.5 mm-40 -57.99 -40.08 79.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.184 -0.462 . . . . 3.49 111.586 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' B' ' 131' ' ' LYS . 18.8 pttp -68.18 -26.63 65.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 3.82 111.068 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.899 0 CA-C-O 118.767 -1.018 . . . . 4.46 111.249 -174.154 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.498 ' HG2' ' HB3' ' A' ' 102' ' ' LYS . 14.0 Cg_endo . . . . . 0 N--CA 1.451 -1.025 0 CA-C-O 121.314 0.464 . . . . 5.29 111.462 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.8 -43.63 83.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.31 -0.859 . . . . 5.13 113.11 -160.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.474 ' C ' HD22 ' A' ' 101' ' ' ASN . 0.2 OUTLIER -88.48 -44.87 10.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.389 -0.597 . . . . 5.19 109.389 -179.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.767 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 60.5 tttm -57.56 -9.17 1.03 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.523 -0.762 . . . . 6.27 112.216 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 132' ' ' ILE . 60.1 t80 -59.51 -32.75 70.58 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.051 -0.406 . . . . 3.24 110.21 172.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 132' ' ' ILE . 53.8 tp -67.13 -56.9 12.09 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.886 -0.597 . . . . 3.18 111.988 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 30.5 Cg_endo -60.25 -28.24 86.5 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.344 2.029 . . . . 3.51 112.675 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 20.9 mm-40 -62.81 -44.35 96.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.433 0.635 . . . . 3.7 110.006 175.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' B' ' 120' ' ' HIS . 68.8 mt -64.43 -44.97 89.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.118 -0.946 . . . . 1.63 110.717 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.763 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 20.0 ptp -64.61 -35.08 79.85 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.225 -0.443 . . . . 2.67 111.447 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.023 -0.271 . . . . 1.6 110.994 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 75.6 mt-10 -66.18 -39.44 89.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.673 . . . . 1.49 109.467 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.491 ' HA ' HD13 ' A' ' 125' ' ' LEU . 50.3 tttp -58.38 -45.71 87.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.293 -1.321 . . . . 1.89 110.928 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.73 -30.45 69.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.004 0.372 . . . . 3.08 112.004 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.437 ' HB2' ' HE2' ' B' ' 118' ' ' PHE . 36.8 m -95.79 -14.91 22.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.585 0.587 . . . . 0.55 112.585 -172.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' B' ' 114' ' ' LEU . 11.2 tp -75.58 144.33 41.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.898 0.38 . . . . 0.31 110.775 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.32 130.91 87.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 1.23 110.559 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.44 -16.5 55.46 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 C-N-CA 123.525 2.817 . . . . 0.55 113.498 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -62.19 -21.15 64.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.645 0.259 . . . . 1.3 110.849 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.42 ' HE2' ' HB2' ' B' ' 113' ' ' SER . 59.1 m-85 -94.99 84.69 4.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 1.23 109.887 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.2 m -58.66 -49.57 77.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.656 -0.702 . . . . 0.48 111.691 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.631 ' O ' ' HG2' ' A' ' 123' ' ' GLN . 91.2 m-70 -69.72 -44.34 70.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.188 -0.46 . . . . 1.47 111.258 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.746 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.61 -40.23 82.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.394 0.616 . . . . 0.47 110.279 176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.726 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -70.45 -38.41 74.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.109 -0.95 . . . . 0.63 111.365 178.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 120' ' ' HIS . 2.0 pt20 -68.95 -43.48 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.918 -0.313 . . . . 1.76 110.593 -178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.31 -35.49 76.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.436 -0.347 . . . . 0.83 111.182 -175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 121' ' ' ALA . 16.6 mt -61.67 -38.91 89.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.443 -0.577 . . . . 0.52 109.443 172.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 66.3 m -70.12 -44.93 67.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.253 -0.885 . . . . 1.07 110.37 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.08 95.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.486 -0.779 . . . . 1.38 112.181 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 16.8 tp10 -63.44 -37.47 87.4 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.007 0.432 . . . . 2.02 110.605 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 104' ' ' LEU . 93.5 mt -61.95 -42.67 95.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.822 -0.626 . . . . 1.92 110.114 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.716 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 71.1 mt-10 -57.39 -44.0 84.14 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.146 -0.479 . . . . 2.25 110.295 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 9.3 mtpm? -58.4 -46.18 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 3.73 111.24 -176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.545 ' HB ' HD13 ' A' ' 104' ' ' LEU . 15.7 mt -66.5 -46.65 85.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.166 -0.47 . . . . 2.98 110.764 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.51 -34.1 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.765 0.654 . . . . 3.49 112.765 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' ' 130' ' ' GLU . 52.6 mttm -65.2 -28.32 69.3 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.965 0.412 . . . . 3.82 110.884 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.211 0 CA-C-O 118.667 -1.074 . . . . 4.46 112.506 -172.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' B' ' 102' ' ' LYS . 13.7 Cg_endo . . . . . 0 N--CA 1.448 -1.169 0 CA-C-O 121.112 0.38 . . . . 5.29 111.377 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.09 -43.6 82.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.389 -0.823 . . . . 5.14 113.042 -160.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . 0.462 HD22 ' C ' ' B' ' 101' ' ' ASN . 0.2 OUTLIER -88.39 -44.99 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.341 -0.615 . . . . 5.19 109.341 -179.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.769 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 60.6 tttm -57.72 -9.0 1.04 Allowed 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.559 -0.746 . . . . 6.27 112.14 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.414 ' CD1' HD11 ' B' ' 132' ' ' ILE . 60.3 t80 -59.47 -32.94 70.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 3.24 110.305 172.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' B' ' 132' ' ' ILE . 53.1 tp -67.13 -56.85 12.21 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.794 -0.639 . . . . 3.18 112.077 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 31.2 Cg_endo -60.5 -27.99 85.87 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.418 2.079 . . . . 3.51 112.637 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.769 ' HG2' ' O ' ' B' ' 102' ' ' LYS . 19.5 mm-40 -62.78 -44.57 95.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.336 0.589 . . . . 3.71 110.082 175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 120' ' ' HIS . 66.7 mt -64.37 -44.75 90.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 1.63 110.88 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.786 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 20.2 ptp -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 2.67 111.406 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.14 -45.86 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 1.6 111.032 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 73.0 mt-10 -66.03 -39.45 90.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.646 0.736 . . . . 1.49 109.529 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.489 ' HA ' HD13 ' B' ' 125' ' ' LEU . 50.4 tttp -58.42 -45.75 87.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.289 -1.323 . . . . 1.89 110.971 178.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.38 -30.71 69.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.377 -0.374 . . . . 3.08 111.866 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HE2' ' A' ' 118' ' ' PHE . 31.3 m -96.23 -14.68 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.591 0.589 . . . . 0.55 112.591 -171.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 114' ' ' LEU . 11.1 tp -75.54 144.05 42.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.943 0.401 . . . . 0.3 110.894 -175.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.43 130.82 87.08 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.554 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.35 -16.57 55.82 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.426 2.751 . . . . 0.55 113.559 -175.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.9 t -62.14 -21.18 64.82 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.857 0.361 . . . . 1.3 110.766 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 113' ' ' SER . 59.3 m-85 -94.75 84.52 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.97 -0.381 . . . . 1.23 109.97 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 98.0 m -58.33 -49.6 76.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.835 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' B' ' 123' ' ' GLN . 91.0 m-70 -69.79 -44.68 69.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.169 -0.469 . . . . 1.47 111.236 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.735 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.27 -40.52 82.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.347 0.594 . . . . 0.47 110.24 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.586 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -70.42 -38.56 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.103 -0.953 . . . . 0.63 111.294 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 120' ' ' HIS . 2.1 pt20 -68.81 -43.38 75.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.827 -0.349 . . . . 1.76 110.618 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.16 -35.61 76.51 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.374 -0.376 . . . . 0.83 111.086 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 121' ' ' ALA . 16.7 mt -61.68 -38.87 89.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.38 0.609 . . . . 0.52 109.442 172.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.2 m -70.3 -44.88 67.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.205 -0.907 . . . . 1.07 110.454 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.25 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.55 -0.75 . . . . 1.38 112.15 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.585 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 16.5 tp10 -63.3 -37.4 87.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.022 0.439 . . . . 2.01 110.598 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.01 -42.8 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 1.92 109.999 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.738 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 72.0 mt-10 -57.21 -44.23 83.53 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.144 -0.48 . . . . 2.25 110.212 175.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 9.4 mtpm? -58.17 -46.58 85.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 3.73 111.107 -176.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.55 ' HB ' HD13 ' B' ' 104' ' ' LEU . 15.6 mt -66.33 -46.53 86.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.188 -0.46 . . . . 2.98 110.781 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.14 -34.71 78.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.816 0.672 . . . . 3.49 112.816 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 52.6 mttm -65.19 -28.05 69.12 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.003 0.43 . . . . 3.82 111.024 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.284 0 CA-C-O 118.737 -1.035 . . . . 4.46 112.418 -173.545 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 98.5 Cg_endo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 121.404 0.502 . . . . 5.29 112.21 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -79.23 -40.66 30.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.155 -0.93 . . . . 5.13 112.234 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -89.38 -50.89 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.9 -0.5 . . . . 5.19 110.642 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 99' ' ' PRO . 8.7 ttpp -57.3 -6.9 0.47 Allowed 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.49 -0.777 . . . . 6.27 111.914 178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 60.3 t80 -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.236 0.614 . . . . 3.24 110.155 173.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 132' ' ' ILE . 60.3 tp -67.09 -56.82 12.36 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 122.894 0.478 . . . . 3.18 111.776 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.643 ' HA ' ' HG2' ' A' ' 108' ' ' MET . 35.4 Cg_endo -61.5 -27.08 81.71 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.331 2.021 . . . . 3.51 111.714 176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.694 ' HB3' ' CD2' ' B' ' 120' ' ' HIS . 23.5 mm-40 -61.52 -46.42 90.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.396 0.617 . . . . 3.7 110.122 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 103' ' ' TYR . 95.0 mt -64.47 -44.81 89.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.085 -0.961 . . . . 1.63 110.88 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.643 ' HG2' ' HA ' ' A' ' 105' ' ' PRO . 21.8 ptm -64.01 -35.66 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 2.67 110.961 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.05 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.672 -0.24 . . . . 1.6 111.256 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 114' ' ' LEU . 87.7 mt-10 -66.69 -41.26 88.35 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.361 0.601 . . . . 1.49 109.561 177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HA ' HD13 ' A' ' 125' ' ' LEU . 20.1 tttm -55.46 -51.71 66.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.296 -1.32 . . . . 1.89 111.421 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.84 -7.75 58.89 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 111.996 0.369 . . . . 3.08 111.996 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.9 m -104.46 -22.14 13.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.55 111.48 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' B' ' 114' ' ' LEU . 9.0 tp -69.96 143.62 52.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 0.31 110.194 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.98 133.0 76.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.669 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.74 -16.33 54.11 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.552 2.835 . . . . 0.55 113.657 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.4 t -62.85 -23.23 67.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 1.3 110.379 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -91.83 80.44 5.25 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.91 -0.774 . . . . 1.23 108.91 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.7 m -60.98 -46.27 91.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.48 111.936 -173.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.676 ' CD2' ' HB3' ' B' ' 106' ' ' GLU . 68.1 m-70 -70.05 -43.92 70.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.389 -175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' B' ' 125' ' ' LEU . . . -58.64 -40.2 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.574 0.702 . . . . 0.47 110.612 175.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG2' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -70.11 -40.01 75.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.01 -0.995 . . . . 0.63 110.962 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.5 -42.16 78.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 1.76 111.4 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 41.6 mt -65.58 -35.15 79.99 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.901 -0.32 . . . . 0.83 110.783 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' B' ' 121' ' ' ALA . 20.3 mt -65.2 -38.81 91.63 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.637 -0.505 . . . . 0.52 109.637 175.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.2 m -63.33 -47.61 81.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.543 -0.753 . . . . 1.07 110.305 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 130' ' ' GLU . . . -65.06 -46.42 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.135 -0.939 . . . . 1.38 112.19 -176.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HA ' ' HD3' ' A' ' 131' ' ' LYS . 3.1 tp10 -60.57 -37.56 81.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.098 0.475 . . . . 2.02 110.98 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 104' ' ' LEU . 92.3 mt -59.61 -41.62 85.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.92 109.875 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 37.7 mt-10 -57.23 -43.07 82.54 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.709 -0.678 . . . . 2.25 110.894 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 128' ' ' GLU . 1.1 mptm? -56.13 -49.7 73.19 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.964 0.411 . . . . 3.73 110.58 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.612 ' HB ' HD13 ' A' ' 104' ' ' LEU . 6.0 mt -67.23 -33.94 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.756 -0.656 . . . . 2.98 110.881 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 129' ' ' ILE . 17.0 mm-40 -73.76 -37.02 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.131 -0.486 . . . . 3.49 111.692 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.777 ' HE2' ' HB3' ' A' ' 130' ' ' GLU . 52.4 mttm -74.51 -34.55 63.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.061 0.458 . . . . 3.82 110.77 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 CA-C-O 118.675 -1.069 . . . . 4.46 112.8 -172.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.469 ' CG ' ' HB3' ' B' ' 102' ' ' LYS . 93.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.272 0.447 . . . . 5.29 112.099 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -79.59 -40.41 29.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.227 -0.897 . . . . 5.14 112.344 -172.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -89.51 -50.53 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.153 0.501 . . . . 5.19 110.727 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' B' ' 99' ' ' PRO . 8.7 ttpp -57.82 -7.21 0.67 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.256 -0.883 . . . . 6.27 111.75 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . 0.491 ' O ' ' HG ' ' B' ' 107' ' ' LEU . 60.8 t80 -62.18 -30.43 71.06 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.317 0.647 . . . . 3.24 110.255 173.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' B' ' 132' ' ' ILE . 60.4 tp -66.91 -57.06 12.17 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.935 0.494 . . . . 3.18 111.615 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.65 ' HA ' ' HG2' ' B' ' 108' ' ' MET . 34.5 Cg_endo -61.43 -27.13 82.12 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.284 1.99 . . . . 3.51 111.753 177.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.676 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 25.4 mm-40 -61.36 -46.51 89.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.479 0.657 . . . . 3.71 110.121 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 103' ' ' TYR . 95.7 mt -64.43 -44.97 89.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.087 -0.96 . . . . 1.63 110.81 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.65 ' HG2' ' HA ' ' B' ' 105' ' ' PRO . 21.6 ptm -63.97 -35.5 80.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 2.67 110.817 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.02 64.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.155 -0.218 . . . . 1.6 111.164 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 114' ' ' LEU . 87.5 mt-10 -66.66 -41.15 88.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.459 0.647 . . . . 1.49 109.618 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' B' ' 125' ' ' LEU . 19.9 tttm -55.5 -51.53 66.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.354 -1.293 . . . . 1.89 111.54 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.22 -7.8 59.15 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.032 0.382 . . . . 3.08 112.032 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -104.36 -21.56 13.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.854 0.359 . . . . 0.55 111.695 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.963 HD11 HD11 ' A' ' 114' ' ' LEU . 9.1 tp -70.51 143.38 51.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.096 -0.502 . . . . 0.3 110.336 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.5 132.71 78.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.619 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -63.43 -16.39 54.26 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.551 2.834 . . . . 0.55 113.733 -174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.9 t -63.06 -23.45 67.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 1.3 110.316 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -91.76 80.6 5.27 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.866 -0.79 . . . . 1.23 108.866 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 46.4 m -61.24 -46.11 91.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.48 112.096 -173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 106' ' ' GLU . 67.7 m-70 -70.19 -43.61 70.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.416 -0.357 . . . . 1.47 110.396 -175.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.697 ' HB2' HD11 ' A' ' 125' ' ' LEU . . . -58.66 -40.27 83.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.47 110.676 175.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.61 ' HG2' HD23 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -70.16 -39.67 75.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.123 -0.944 . . . . 0.63 111.085 179.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -68.59 -42.37 78.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.195 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.821 -0.351 . . . . 0.83 110.748 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 121' ' ' ALA . 20.4 mt -65.24 -38.74 91.32 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.652 -0.499 . . . . 0.52 109.652 175.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 96.3 m -63.21 -47.61 81.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 1.07 110.388 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 130' ' ' GLU . . . -65.3 -46.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.065 -0.97 . . . . 1.38 112.359 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' B' ' 131' ' ' LYS . 3.2 tp10 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.082 0.468 . . . . 2.01 111.079 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 104' ' ' LEU . 91.3 mt -59.48 -41.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.417 -0.81 . . . . 1.92 109.857 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.754 ' O ' ' HG3' ' B' ' 134' ' ' LYS . 38.6 mt-10 -57.01 -43.12 81.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.66 -0.7 . . . . 2.25 111.018 178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 128' ' ' GLU . 1.1 mptm? -55.97 -49.68 72.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.906 0.384 . . . . 3.73 110.606 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' B' ' 104' ' ' LEU . 6.0 mt -67.31 -33.9 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.868 -0.606 . . . . 2.98 110.822 -178.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 129' ' ' ILE . 16.9 mm-40 -73.74 -37.22 65.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.997 -0.547 . . . . 3.49 111.642 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.754 ' HG3' ' O ' ' B' ' 130' ' ' GLU . 51.9 mttm -74.41 -33.99 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 3.82 110.922 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.52 -1.155 . . . . 4.46 112.698 -173.041 . . . . . . . . 0 0 . 1 stop_ save_