data_2kzi_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 2kzi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HA ' HE22 ' A' ' 55' ' ' GLN . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.547 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 80.6 m-20 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 27.1 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.7 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HA ' HE22 ' A' ' 55' ' ' GLN . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.518 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.518 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.7 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 HE22 ' HA ' ' A' ' 22' ' ' LEU . 26.5 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' H ' HE21 ' A' ' 26' ' ' GLN . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.485 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' HD22 ' A' ' 21' ' ' ASN . 0.5 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.47 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.9 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt . . . . . 0 C--O 1.237 0.409 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.412 HD22 ' ND2' ' A' ' 52' ' ' ASN . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HA ' HE22 ' A' ' 55' ' ' GLN . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' H ' HE21 ' A' ' 26' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.474 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.4 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.6 t-20 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.404 HD22 ' ND2' ' A' ' 52' ' ' ASN . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HA ' HE22 ' A' ' 55' ' ' GLN . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' H ' HE21 ' A' ' 26' ' ' GLN . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.474 HE21 ' H ' ' A' ' 23' ' ' ASN . 26.3 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.8 t-20 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.3 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' H ' HE21 ' A' ' 26' ' ' GLN . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.449 HE21 ' H ' ' A' ' 23' ' ' ASN . 42.1 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.423 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.0 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.407 HD22 ' ND2' ' A' ' 52' ' ' ASN . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.508 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.508 HE21 ' H ' ' A' ' 23' ' ' ASN . 28.5 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' ND2' HD22 ' A' ' 21' ' ' ASN . 25.3 t-20 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' A' ' 22' ' ' LEU . 16.6 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HA ' HE22 ' A' ' 55' ' ' GLN . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.8 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.512 HD22 ' ND2' ' A' ' 52' ' ' ASN . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HE22 ' A' ' 55' ' ' GLN . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' H ' HE21 ' A' ' 26' ' ' GLN . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.501 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' HD22 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.3 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.493 HE21 ' H ' ' A' ' 23' ' ' ASN . 29.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.482 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.482 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.0 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.47 HE22 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.515 HD22 ' ND2' ' A' ' 52' ' ' ASN . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.481 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 81.3 m-20 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 26.5 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' HD22 ' A' ' 21' ' ' ASN . 1.8 t-20 -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.475 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' HA ' HE22 ' A' ' 55' ' ' GLN . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.469 ' H ' HE21 ' A' ' 26' ' ' GLN . 80.7 m-20 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.469 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' H ' HE21 ' A' ' 26' ' ' GLN . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.437 HE21 ' H ' ' A' ' 23' ' ' ASN . 34.0 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.405 0.145 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HE22 ' A' ' 55' ' ' GLN . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.568 ' H ' HE21 ' A' ' 26' ' ' GLN . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.568 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.0 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.528 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.8 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.467 HE22 ' HA ' ' A' ' 22' ' ' LEU . 25.4 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' HE22 ' A' ' 55' ' ' GLN . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.524 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.2 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.453 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.4 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.519 HE21 ' H ' ' A' ' 23' ' ' ASN . 33.0 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.468 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.63 0.253 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.505 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.5 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.449 HE22 ' HA ' ' A' ' 22' ' ' LEU . 20.1 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.464 HD22 ' ND2' ' A' ' 52' ' ' ASN . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' H ' HE21 ' A' ' 26' ' ' GLN . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.5 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' ND2' HD22 ' A' ' 21' ' ' ASN . 26.9 t-20 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.428 0.156 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.42 HD22 ' ND2' ' A' ' 52' ' ' ASN . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 31' ' ' ILE . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.4 t-20 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.14 145.18 54.12 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -52.56 -25.33 10.17 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.289 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -48.52 -39.41 23.21 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.261 0.351 . . . . 0.0 111.54 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.31 -53.97 52.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -62.15 -42.76 99.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.795 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.22 -43.44 98.88 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HA ' HE22 ' A' ' 55' ' ' GLN . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.547 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 80.6 m-20 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 27.1 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.7 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -74.09 -71.51 0.33 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -89.15 -60.13 2.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.421 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -177.23 155.37 1.13 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.902 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.8 41.5 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.346 0.593 . . . . 0.0 111.573 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.36 -34.88 77.55 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.824 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -44.53 96.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.489 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HA ' HE22 ' A' ' 55' ' ' GLN . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.518 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.518 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.7 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.458 HE22 ' HA ' ' A' ' 22' ' ' LEU . 26.5 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.14 -66.51 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.51 -61.39 1.69 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.261 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -174.46 153.05 1.82 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -80.33 55.27 2.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.516 0.674 . . . . 0.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -67.89 -38.58 83.19 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.038 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -60.34 -40.83 92.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 HD22 ' ND2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' H ' HE21 ' A' ' 26' ' ' GLN . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.485 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' HD22 ' A' ' 21' ' ' ASN . 0.5 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.47 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.9 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.91 -173.45 4.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.589 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -57.75 -18.73 23.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.374 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -50.2 -40.85 48.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -59.9 -62.97 1.48 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.291 0.369 . . . . 0.0 111.196 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -60.89 -37.54 82.55 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.693 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.69 -50.36 73.8 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.017 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 HD22 ' ND2' ' A' ' 52' ' ' ASN . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HA ' HE22 ' A' ' 55' ' ' GLN . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' H ' HE21 ' A' ' 26' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.474 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.4 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.6 t-20 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.458 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.33 -71.94 0.19 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.31 -61.26 1.72 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -170.25 151.46 3.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.992 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -90.15 21.67 3.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.52 -31.59 72.38 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.58 -37.9 79.75 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.77 -0.196 . . . . 0.0 111.44 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.404 HD22 ' ND2' ' A' ' 52' ' ' ASN . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HA ' HE22 ' A' ' 55' ' ' GLN . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' H ' HE21 ' A' ' 26' ' ' GLN . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.474 HE21 ' H ' ' A' ' 23' ' ' ASN . 26.3 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.8 t-20 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.3 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.46 -75.31 0.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.392 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -90.38 -60.64 1.87 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -166.93 141.87 4.09 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -80.82 36.98 0.41 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.868 0.366 . . . . 0.0 111.845 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.457 HD21 ' H ' ' A' ' 6' ' ' ASN . 1.2 p30 -82.22 -3.81 55.81 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.81 -45.62 91.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.461 ' CG2' ' H ' ' A' ' 2' ' ' ASP . 4.4 p . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' H ' ' CG2' ' A' ' 1' ' ' VAL . 15.7 t70 -62.2 148.41 44.75 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.71 -22.41 34.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.961 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -52.28 -38.13 57.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.52 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.642 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.17 -37.31 82.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.01 -47.39 86.67 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.803 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' H ' HE21 ' A' ' 26' ' ' GLN . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.449 HE21 ' H ' ' A' ' 23' ' ' ASN . 42.1 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.423 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.0 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -69.08 -67.67 0.46 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.978 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.13 -60.82 1.83 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -178.97 155.33 0.75 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.685 0.616 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -84.49 54.32 2.97 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.72 0.771 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -67.34 -32.52 73.52 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.027 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -58.11 -39.27 78.23 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.407 HD22 ' ND2' ' A' ' 52' ' ' ASN . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.508 HE21 ' H ' ' A' ' 23' ' ' ASN . 28.5 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' ND2' HD22 ' A' ' 21' ' ' ASN . 25.3 t-20 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' A' ' 22' ' ' LEU . 16.6 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.11 -37.7 72.35 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -90.15 -41.37 11.67 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -58.98 -46.95 86.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -57.39 6.5 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -64.22 -38.91 92.75 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.02 -39.81 91.16 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HA ' HE22 ' A' ' 55' ' ' GLN . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.8 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.35 -65.28 0.14 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.91 -41.98 88.54 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.228 0.33 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.95 71.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -80.17 -58.7 3.02 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -66.67 -41.24 88.47 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.19 -39.23 81.92 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.512 HD22 ' ND2' ' A' ' 52' ' ' ASN . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HE22 ' A' ' 55' ' ' GLN . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' H ' HE21 ' A' ' 26' ' ' GLN . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.501 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.512 ' ND2' HD22 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.3 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -61.09 -37.18 81.81 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.844 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -57.17 -37.34 71.96 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.802 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -94.09 -13.52 26.74 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -59.84 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -59.38 -37.76 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -60.4 -43.94 96.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.493 HE21 ' H ' ' A' ' 23' ' ' ASN . 29.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -70.1 -72.09 0.21 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.341 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -90.02 -61.07 1.77 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.65 154.0 4.32 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.533 0.521 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.05 49.32 1.76 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.521 0.677 . . . . 0.0 111.466 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -65.69 -33.32 75.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.872 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -58.44 -38.7 78.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.482 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.482 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.0 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.47 HE22 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -55.93 -38.71 70.66 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.285 0.365 . . . . 0.0 111.24 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -59.2 -36.27 75.07 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.474 0.484 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -84.09 -54.58 4.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.393 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -59.68 4.04 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.947 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.6 -40.78 84.21 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.73 -41.05 97.14 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.515 HD22 ' ND2' ' A' ' 52' ' ' ASN . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.481 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 81.3 m-20 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 26.5 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' HD22 ' A' ' 21' ' ' ASN . 1.8 t-20 -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.475 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.32 -69.05 0.34 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -91.16 -61.79 1.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.426 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -172.83 153.02 2.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.0 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -79.0 56.72 2.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.576 0.703 . . . . 0.0 111.847 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -69.71 -36.8 76.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.906 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.34 -38.34 83.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' HA ' HE22 ' A' ' 55' ' ' GLN . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.469 ' H ' HE21 ' A' ' 26' ' ' GLN . 80.7 m-20 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.469 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -55.22 -41.09 71.59 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.473 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.03 -47.06 88.18 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.297 0.373 . . . . 0.0 110.365 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -49.19 76.88 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -53.24 60.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.207 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 6' ' ' ASN . 1.7 m120 -62.47 -30.85 71.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.16 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -56.87 -49.7 74.7 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' H ' HE21 ' A' ' 26' ' ' GLN . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.437 HE21 ' H ' ' A' ' 23' ' ' ASN . 34.0 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -56.7 -41.54 77.54 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.27 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.34 -50.54 73.22 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.219 0.324 . . . . 0.0 110.681 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.38 -47.41 84.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -57.82 -61.51 2.47 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.053 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.59 -38.98 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.89 -47.76 81.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.342 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HE22 ' A' ' 55' ' ' GLN . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.568 ' H ' HE21 ' A' ' 26' ' ' GLN . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.568 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.0 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.457 HE22 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.93 -169.56 2.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.603 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.68 -18.96 23.63 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.65 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -47.81 -39.8 19.32 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CD2' ' CE ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -59.36 -58.45 8.57 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.71 -39.13 83.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.505 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -60.93 -42.56 98.38 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.198 0.311 . . . . 0.0 111.688 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.528 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.8 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.467 HE22 ' HA ' ' A' ' 22' ' ' LEU . 25.4 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.67 -73.21 0.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.08 -61.32 1.71 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.742 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.39 150.62 2.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -84.74 65.15 8.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.57 0.7 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -86.73 -4.5 59.18 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.368 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -69.66 -49.28 55.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' HE22 ' A' ' 55' ' ' GLN . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.524 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.2 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.453 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.4 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.86 -143.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -58.38 -35.95 72.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.691 0.282 . . . . 0.0 110.442 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.8 144.8 10.38 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -77.65 60.28 2.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 111.201 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -61.43 -34.41 75.35 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.204 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.65 -44.05 93.69 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.519 HE21 ' H ' ' A' ' 23' ' ' ASN . 33.0 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.468 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -67.59 -82.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -90.53 -63.51 1.26 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -159.81 154.19 23.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.904 0.752 . . . . 0.0 109.851 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -91.1 31.41 1.11 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.057 0.456 . . . . 0.0 111.271 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.09 -31.92 73.17 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.025 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.47 -40.1 85.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.287 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.505 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.5 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.449 HE22 ' HA ' ' A' ' 22' ' ' LEU . 20.1 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -53.19 -29.43 31.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -57.95 -28.35 64.25 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.21 -0.905 . . . . 0.0 113.409 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CG ' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -133.03 -105.17 0.25 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -177.342 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -41.33 -38.76 1.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -174.85 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -37.95 73.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.16 0.436 . . . . 0.0 111.689 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -69.36 -55.51 10.18 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.401 ' HE3' ' CD2' ' A' ' 5' ' ' PHE . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.464 HD22 ' ND2' ' A' ' 52' ' ' ASN . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' H ' HE21 ' A' ' 26' ' ' GLN . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.5 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' ND2' HD22 ' A' ' 21' ' ' ASN . 26.9 t-20 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.75 -71.07 0.31 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -90.0 -60.64 1.88 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.0 152.3 7.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -81.25 56.25 2.81 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.82 -31.65 71.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.179 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -58.8 -40.38 83.9 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.214 0.321 . . . . 0.0 111.358 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.42 HD22 ' ND2' ' A' ' 52' ' ' ASN . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 31' ' ' ILE . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 21' ' ' ASN . 24.4 t-20 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD22 ' A' ' 34' ' ' LEU . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.774 HE22 HD22 ' A' ' 51' ' ' LEU . 90.3 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 12' ' ' ALA . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD22 HE22 ' A' ' 26' ' ' GLN . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.665 HE22 HD22 ' A' ' 51' ' ' LEU . 92.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 HE22 ' A' ' 26' ' ' GLN . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt . . . . . 0 C--O 1.237 0.409 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' H ' HE22 ' A' ' 55' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.581 HE22 HD22 ' A' ' 51' ' ' LEU . 91.3 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE22 ' A' ' 26' ' ' GLN . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.485 HE22 ' H ' ' A' ' 23' ' ' ASN . 57.2 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.601 HE22 HD22 ' A' ' 51' ' ' LEU . 98.6 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 12' ' ' ALA . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HE22 ' A' ' 26' ' ' GLN . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HB2' HD23 ' A' ' 19' ' ' LEU . 19.2 t30 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.806 HD12 ' H ' ' A' ' 22' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.419 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 22' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' H ' HE22 ' A' ' 55' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.513 HE22 HD22 ' A' ' 51' ' ' LEU . 94.6 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.513 HD22 HE22 ' A' ' 26' ' ' GLN . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 19' ' ' LEU . 17.7 t30 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.503 HE22 ' H ' ' A' ' 23' ' ' ASN . 58.8 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.758 HE22 HD22 ' A' ' 51' ' ' LEU . 91.5 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD22 HE22 ' A' ' 26' ' ' GLN . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.538 HE22 HD22 ' A' ' 51' ' ' LEU . 90.0 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD22 HE22 ' A' ' 26' ' ' GLN . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 52' ' ' ASN . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.484 ' H ' HE22 ' A' ' 55' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 HE22 HD22 ' A' ' 51' ' ' LEU . 91.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD22 HE22 ' A' ' 26' ' ' GLN . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' HB2' HD23 ' A' ' 19' ' ' LEU . 19.8 t30 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.484 HE22 ' H ' ' A' ' 23' ' ' ASN . 61.2 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.692 HE22 HD22 ' A' ' 51' ' ' LEU . 93.9 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 34' ' ' LEU . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 HE22 ' A' ' 26' ' ' GLN . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.491 ' CD ' HD13 ' A' ' 51' ' ' LEU . 99.3 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.491 HD13 ' CD ' ' A' ' 26' ' ' GLN . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.702 HE22 HD22 ' A' ' 51' ' ' LEU . 91.3 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.702 HD22 HE22 ' A' ' 26' ' ' GLN . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 34' ' ' LEU . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 34' ' ' LEU . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.405 0.145 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.694 HE22 HD22 ' A' ' 51' ' ' LEU . 92.1 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.694 HD22 HE22 ' A' ' 26' ' ' GLN . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.555 HE22 HD22 ' A' ' 51' ' ' LEU . 91.5 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 44' ' ' LEU . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 34' ' ' LEU . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 26' ' ' GLN . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG23 ' HB1' ' A' ' 48' ' ' ALA . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' ILE . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.539 HE22 HD22 ' A' ' 51' ' ' LEU . 88.8 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HE22 ' A' ' 26' ' ' GLN . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.63 0.253 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.472 ' H ' HE22 ' A' ' 55' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 HD22 ' A' ' 51' ' ' LEU . 91.1 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 34' ' ' LEU . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD22 HE22 ' A' ' 26' ' ' GLN . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' H ' ' A' ' 23' ' ' ASN . 61.6 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 51' ' ' LEU . 86.9 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' A' ' 26' ' ' GLN . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.428 0.156 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.419 ' H ' HE22 ' A' ' 55' ' ' GLN . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.419 HE22 ' H ' ' A' ' 23' ' ' ASN . 74.2 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.14 145.18 54.12 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -52.56 -25.33 10.17 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.289 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -48.52 -39.41 23.21 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.261 0.351 . . . . 0.0 111.54 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.31 -53.97 52.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -62.15 -42.76 99.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.795 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.22 -43.44 98.88 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD22 ' A' ' 34' ' ' LEU . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -74.09 -71.51 0.33 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -89.15 -60.13 2.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.421 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -177.23 155.37 1.13 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.902 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.8 41.5 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.346 0.593 . . . . 0.0 111.573 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.36 -34.88 77.55 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.824 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -44.53 96.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.489 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.774 HE22 HD22 ' A' ' 51' ' ' LEU . 90.3 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 12' ' ' ALA . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD22 HE22 ' A' ' 26' ' ' GLN . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.14 -66.51 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.51 -61.39 1.69 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.261 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -174.46 153.05 1.82 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -80.33 55.27 2.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.516 0.674 . . . . 0.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -67.89 -38.58 83.19 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.038 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -60.34 -40.83 92.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.665 HE22 HD22 ' A' ' 51' ' ' LEU . 92.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD22 HE22 ' A' ' 26' ' ' GLN . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.91 -173.45 4.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.589 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -57.75 -18.73 23.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.374 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -50.2 -40.85 48.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -59.9 -62.97 1.48 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.291 0.369 . . . . 0.0 111.196 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -60.89 -37.54 82.55 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.693 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.69 -50.36 73.8 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.017 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' H ' HE22 ' A' ' 55' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.581 HE22 HD22 ' A' ' 51' ' ' LEU . 91.3 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE22 ' A' ' 26' ' ' GLN . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.485 HE22 ' H ' ' A' ' 23' ' ' ASN . 57.2 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.33 -71.94 0.19 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.31 -61.26 1.72 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -170.25 151.46 3.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.992 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -90.15 21.67 3.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -62.52 -31.59 72.38 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.58 -37.9 79.75 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.77 -0.196 . . . . 0.0 111.44 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.601 HE22 HD22 ' A' ' 51' ' ' LEU . 98.6 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 12' ' ' ALA . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HE22 ' A' ' 26' ' ' GLN . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HB2' HD23 ' A' ' 19' ' ' LEU . 19.2 t30 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.46 -75.31 0.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.392 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -90.38 -60.64 1.87 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -166.93 141.87 4.09 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -80.82 36.98 0.41 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.868 0.366 . . . . 0.0 111.845 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.22 -3.81 55.81 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.493 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.81 -45.62 91.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.806 HD12 ' H ' ' A' ' 22' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.419 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.817 HG22 ' H ' ' A' ' 2' ' ' ASP . 4.4 p . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.817 ' H ' HG22 ' A' ' 1' ' ' VAL . 15.7 t70 -62.2 148.41 44.75 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -56.71 -22.41 34.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.961 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -52.28 -38.13 57.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.52 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.642 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.17 -37.31 82.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.01 -47.39 86.67 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.803 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 22' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -69.08 -67.67 0.46 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.978 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.13 -60.82 1.83 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -178.97 155.33 0.75 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.685 0.616 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -84.49 54.32 2.97 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.72 0.771 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -67.34 -32.52 73.52 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.027 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -58.11 -39.27 78.23 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' H ' HE22 ' A' ' 55' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.513 HE22 HD22 ' A' ' 51' ' ' LEU . 94.6 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 HD22 HE22 ' A' ' 26' ' ' GLN . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 19' ' ' LEU . 17.7 t30 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.503 HE22 ' H ' ' A' ' 23' ' ' ASN . 58.8 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.11 -37.7 72.35 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.15 -41.37 11.67 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -58.98 -46.95 86.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -57.39 6.5 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -64.22 -38.91 92.75 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.02 -39.81 91.16 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.758 HE22 HD22 ' A' ' 51' ' ' LEU . 91.5 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD22 HE22 ' A' ' 26' ' ' GLN . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.35 -65.28 0.14 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.91 -41.98 88.54 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.228 0.33 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.95 71.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -80.17 -58.7 3.02 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -66.67 -41.24 88.47 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.19 -39.23 81.92 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.538 HE22 HD22 ' A' ' 51' ' ' LEU . 90.0 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD22 HE22 ' A' ' 26' ' ' GLN . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -61.09 -37.18 81.81 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.844 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -57.17 -37.34 71.96 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.802 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -94.09 -13.52 26.74 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -59.84 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -59.38 -37.76 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -60.4 -43.94 96.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 52' ' ' ASN . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.484 ' H ' HE22 ' A' ' 55' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 HE22 HD22 ' A' ' 51' ' ' LEU . 91.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD22 HE22 ' A' ' 26' ' ' GLN . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' HB2' HD23 ' A' ' 19' ' ' LEU . 19.8 t30 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.484 HE22 ' H ' ' A' ' 23' ' ' ASN . 61.2 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -70.1 -72.09 0.21 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.341 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -90.02 -61.07 1.77 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.65 154.0 4.32 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.533 0.521 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.05 49.32 1.76 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.521 0.677 . . . . 0.0 111.466 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -65.69 -33.32 75.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.872 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -58.44 -38.7 78.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.692 HE22 HD22 ' A' ' 51' ' ' LEU . 93.9 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 34' ' ' LEU . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 HE22 ' A' ' 26' ' ' GLN . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -55.93 -38.71 70.66 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.285 0.365 . . . . 0.0 111.24 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -59.2 -36.27 75.07 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.474 0.484 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -84.09 -54.58 4.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.393 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -59.68 4.04 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.947 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.6 -40.78 84.21 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.73 -41.05 97.14 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.491 ' CD ' HD13 ' A' ' 51' ' ' LEU . 99.3 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.491 HD13 ' CD ' ' A' ' 26' ' ' GLN . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.32 -69.05 0.34 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -91.16 -61.79 1.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.426 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -172.83 153.02 2.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.0 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -79.0 56.72 2.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.576 0.703 . . . . 0.0 111.847 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -69.71 -36.8 76.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.906 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.34 -38.34 83.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.702 HE22 HD22 ' A' ' 51' ' ' LEU . 91.3 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.702 HD22 HE22 ' A' ' 26' ' ' GLN . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -55.22 -41.09 71.59 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.473 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.03 -47.06 88.18 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.297 0.373 . . . . 0.0 110.365 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -49.19 76.88 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -53.24 60.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.207 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -62.47 -30.85 71.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.16 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -56.87 -49.7 74.7 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 34' ' ' LEU . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 34' ' ' LEU . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -56.7 -41.54 77.54 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.27 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.34 -50.54 73.22 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.219 0.324 . . . . 0.0 110.681 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.38 -47.41 84.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -57.82 -61.51 2.47 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.053 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.59 -38.98 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.89 -47.76 81.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.342 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.694 HE22 HD22 ' A' ' 51' ' ' LEU . 92.1 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.694 HD22 HE22 ' A' ' 26' ' ' GLN . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.93 -169.56 2.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.603 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.68 -18.96 23.63 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.65 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -47.81 -39.8 19.32 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CD2' ' CE ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -59.36 -58.45 8.57 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.71 -39.13 83.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.505 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -60.93 -42.56 98.38 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.198 0.311 . . . . 0.0 111.688 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.555 HE22 HD22 ' A' ' 51' ' ' LEU . 91.5 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 44' ' ' LEU . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 34' ' ' LEU . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 26' ' ' GLN . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.67 -73.21 0.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.08 -61.32 1.71 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.742 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.39 150.62 2.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -84.74 65.15 8.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.57 0.7 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -86.73 -4.5 59.18 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.368 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -69.66 -49.28 55.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG23 ' HB1' ' A' ' 48' ' ' ALA . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' ILE . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.86 -143.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -58.38 -35.95 72.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.691 0.282 . . . . 0.0 110.442 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.8 144.8 10.38 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -77.65 60.28 2.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 111.201 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -61.43 -34.41 75.35 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.204 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.65 -44.05 93.69 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.539 HE22 HD22 ' A' ' 51' ' ' LEU . 88.8 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.539 HD22 HE22 ' A' ' 26' ' ' GLN . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -67.59 -82.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -90.53 -63.51 1.26 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -159.81 154.19 23.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.904 0.752 . . . . 0.0 109.851 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -91.1 31.41 1.11 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.057 0.456 . . . . 0.0 111.271 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -63.09 -31.92 73.17 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.025 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.47 -40.1 85.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.287 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.472 ' H ' HE22 ' A' ' 55' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.476 HE22 HD22 ' A' ' 51' ' ' LEU . 91.1 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 34' ' ' LEU . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD22 HE22 ' A' ' 26' ' ' GLN . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 HE22 ' H ' ' A' ' 23' ' ' ASN . 61.6 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HA ' ' HB2' ' A' ' 6' ' ' ASN . 47.7 m-20 -53.19 -29.43 31.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -57.95 -28.35 64.25 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.21 -0.905 . . . . 0.0 113.409 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -133.03 -105.17 0.25 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -177.342 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -41.33 -38.76 1.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -174.85 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 15.3 m120 -57.45 -37.95 73.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.16 0.436 . . . . 0.0 111.689 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -69.36 -55.51 10.18 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 51' ' ' LEU . 86.9 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' A' ' 26' ' ' GLN . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 1' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.75 -71.07 0.31 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -90.0 -60.64 1.88 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.0 152.3 7.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -81.25 56.25 2.81 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.82 -31.65 71.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.179 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -58.8 -40.38 83.9 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.214 0.321 . . . . 0.0 111.358 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.419 ' H ' HE22 ' A' ' 55' ' ' GLN . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.419 HE22 ' H ' ' A' ' 23' ' ' ASN . 74.2 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HE22 ' A' ' 55' ' ' GLN . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 80.6 m-20 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.586 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 27.1 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD22 ' A' ' 34' ' ' LEU . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.432 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.7 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.469 0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' HA ' HE22 ' A' ' 55' ' ' GLN . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.598 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.598 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.7 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 12' ' ' ALA . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 HE22 ' HA ' ' A' ' 22' ' ' LEU . 26.5 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.522 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.558 ' H ' HE21 ' A' ' 26' ' ' GLN . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.558 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 21' ' ' ASN . 0.5 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.524 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.9 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt . . . . . 0 C--O 1.237 0.409 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.44 HD21 ' ND2' ' A' ' 52' ' ' ASN . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HE22 ' A' ' 55' ' ' GLN . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.547 ' H ' HE21 ' A' ' 26' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.547 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.4 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' HD21 ' A' ' 21' ' ' ASN . 24.6 t-20 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.524 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.43 HD21 ' ND2' ' A' ' 52' ' ' ASN . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HA ' HE22 ' A' ' 55' ' ' GLN . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.492 ' H ' HE21 ' A' ' 26' ' ' GLN . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' LEU . 26.3 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 12' ' ' ALA . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD13 ' CD ' ' A' ' 26' ' ' GLN . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HB2' HD23 ' A' ' 19' ' ' LEU . 24.8 t-20 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.511 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.3 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.806 HD12 ' H ' ' A' ' 22' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.419 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.415 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.1 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 22' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.536 ' H ' HE21 ' A' ' 26' ' ' GLN . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.536 HE21 ' H ' ' A' ' 23' ' ' ASN . 42.1 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.443 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.0 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.428 HD21 ' ND2' ' A' ' 52' ' ' ASN . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.573 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.573 HE21 ' H ' ' A' ' 23' ' ' ASN . 28.5 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 51' ' ' LEU . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 19' ' ' LEU . 25.3 t-20 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.494 HE22 ' HA ' ' A' ' 22' ' ' LEU . 16.6 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HA ' HE22 ' A' ' 55' ' ' GLN . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.591 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.591 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.518 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.8 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.548 HD21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.501 ' HA ' HE22 ' A' ' 55' ' ' GLN . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' H ' HE21 ' A' ' 26' ' ' GLN . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.576 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.548 ' ND2' HD21 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.501 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.3 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 52' ' ' ASN . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 HD21 ' ND2' ' A' ' 52' ' ' ASN . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.581 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.581 HE21 ' H ' ' A' ' 23' ' ' ASN . 29.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 51' ' ' LEU . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.444 ' HB2' HD23 ' A' ' 19' ' ' LEU . 25.1 t-20 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.505 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.559 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.559 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.0 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 34' ' ' LEU . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.513 HE22 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.547 HD21 ' ND2' ' A' ' 52' ' ' ASN . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 81.3 m-20 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 26.5 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.491 HD13 ' CD ' ' A' ' 26' ' ' GLN . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.547 ' ND2' HD21 ' A' ' 21' ' ' ASN . 1.8 t-20 -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.542 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' HA ' HE22 ' A' ' 55' ' ' GLN . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.54 ' H ' HE21 ' A' ' 26' ' ' GLN . 80.7 m-20 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.54 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.519 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' H ' HE21 ' A' ' 26' ' ' GLN . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 23' ' ' ASN . 34.0 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 34' ' ' LEU . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 34' ' ' LEU . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.405 0.145 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HA ' HE22 ' A' ' 55' ' ' GLN . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.666 ' H ' HE21 ' A' ' 26' ' ' GLN . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.666 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.0 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.484 HE22 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.506 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.622 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.622 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.8 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 44' ' ' LEU . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 34' ' ' LEU . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.506 HE22 ' HA ' ' A' ' 22' ' ' LEU . 25.4 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG23 ' HB1' ' A' ' 48' ' ' ALA . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HE22 ' A' ' 55' ' ' GLN . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.595 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.595 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.2 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' ILE . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.487 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.4 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.423 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.544 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.611 HE21 ' H ' ' A' ' 23' ' ' ASN . 33.0 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' HD21 ' A' ' 21' ' ' ASN . 1.0 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.544 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.63 0.253 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.414 HD21 ' ND2' ' A' ' 52' ' ' ASN . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.592 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.5 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 34' ' ' LEU . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 51' ' ' LEU . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.414 ' ND2' HD21 ' A' ' 21' ' ' ASN . 25.7 t-20 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.483 HE22 ' HA ' ' A' ' 22' ' ' LEU . 20.1 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.487 HD21 ' ND2' ' A' ' 52' ' ' ASN . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 26' ' ' GLN . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.5 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 21' ' ' ASN . 26.9 t-20 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.428 0.156 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.44 HD21 ' ND2' ' A' ' 52' ' ' ASN . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' HE21 ' A' ' 26' ' ' GLN . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.467 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' HD21 ' A' ' 21' ' ' ASN . 24.4 t-20 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.14 145.18 54.12 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -52.56 -25.33 10.17 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.289 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -48.52 -39.41 23.21 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.261 0.351 . . . . 0.0 111.54 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.31 -53.97 52.3 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -62.15 -42.76 99.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.795 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -61.22 -43.44 98.88 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -71.27 -50.81 28.93 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.9 mtm -60.65 -27.15 67.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -54.15 -35.23 62.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 110.072 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -68.7 -32.26 71.94 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.741 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.74 117.02 6.05 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.068 0.23 . . . . 0.0 111.261 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -161.55 -81.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.83 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -60.96 -28.44 68.99 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.563 0.221 . . . . 0.0 111.142 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -56.1 -32.24 63.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.66 -42.29 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.736 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.9 60.48 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.394 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.51 -38.31 66.35 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.452 0.47 . . . . 0.0 111.878 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -65.12 121.09 72.35 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.88 -10.13 5.21 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.223 2.615 . . . . 0.0 115.331 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -99.2 -4.67 31.53 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HE22 ' A' ' 55' ' ' GLN . 71.7 mt -71.65 135.12 46.76 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.2 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 80.6 m-20 -57.88 160.57 4.54 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.78 -51.61 62.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.098 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.48 -35.47 80.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.45 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.586 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 27.1 mt-30 -62.9 -44.59 95.7 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.324 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -61.79 -54.52 41.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.758 0.314 . . . . 0.0 110.425 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.6 -33.5 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.61 68.02 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.626 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -60.85 -49.12 78.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.636 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.9 -37.38 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.25 -40.63 77.75 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 t -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.096 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -54.15 -49.24 69.7 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.16 -40.98 99.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.994 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.54 -39.32 79.85 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.396 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.79 95.46 1.15 Allowed Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.145 0.278 . . . . 0.0 110.515 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.61 -13.56 35.24 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.38 2.053 . . . . 0.0 112.722 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -72.14 -21.15 61.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.241 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.61 1.23 56.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 p -45.24 -41.63 8.62 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.58 94.02 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.994 0.426 . . . . 0.0 110.083 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -71.13 -46.25 61.98 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.788 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD22 ' A' ' 34' ' ' LEU . 82.9 mt -57.82 -44.73 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.04 -48.15 83.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.886 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.17 95.67 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.75 -37.7 87.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.592 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.1 97.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -64.07 -31.95 73.33 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.832 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.36 -49.43 75.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.159 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.68 -38.22 90.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.83 -49.1 79.03 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.206 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.16 -38.9 93.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.53 -52.08 43.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.312 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.432 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.7 mt-30 -73.34 -25.0 60.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.417 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.72 147.15 63.19 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.076 0.235 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.89 158.41 58.0 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.84 2.36 . . . . 0.0 112.053 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.032 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -74.09 -71.51 0.33 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -89.15 -60.13 2.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.421 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -177.23 155.37 1.13 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.902 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.8 41.5 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.346 0.593 . . . . 0.0 111.573 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.36 -34.88 77.55 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.824 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -44.53 96.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.489 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -59.77 -31.73 69.94 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -56.95 -28.67 62.43 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.345 0.403 . . . . 0.0 111.537 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -51.71 -33.67 35.39 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.241 0.338 . . . . 0.0 110.398 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.74 -37.82 83.07 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.413 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -127.03 96.97 4.78 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.292 0.37 . . . . 0.0 110.796 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -157.79 -80.71 0.06 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.584 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -60.46 -33.66 72.89 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.68 0.276 . . . . 0.0 110.827 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -51.38 -33.65 30.91 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.2 -46.83 94.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.863 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -21.92 65.13 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.31 -40.7 71.45 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.521 0.513 . . . . 0.0 111.328 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.3 mm? -62.78 121.0 65.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.99 -9.43 5.4 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 123.365 2.71 . . . . 0.0 115.416 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.0 p30 -98.76 -2.61 37.64 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' HA ' HE22 ' A' ' 55' ' ' GLN . 64.5 mt -75.75 130.21 38.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.365 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.598 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -52.01 145.97 9.36 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.179 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.08 -40.74 46.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.35 0.406 . . . . 0.0 111.806 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.92 -42.97 84.47 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.174 0.296 . . . . 0.0 110.99 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.598 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.7 mt-30 -63.39 -40.33 96.93 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.511 0.507 . . . . 0.0 111.576 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -59.95 -57.07 14.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.738 0.304 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.68 -36.98 80.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.491 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.78 76.2 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.686 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -58.81 -50.12 75.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.395 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.26 -40.35 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.93 -37.95 79.22 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.512 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -57.91 -35.51 71.15 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.944 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.29 -49.39 53.66 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.917 0.389 . . . . 0.0 110.098 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -68.49 -39.98 81.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.806 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.87 -44.11 90.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.387 0.429 . . . . 0.0 111.775 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 83.7 8.29 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 120.861 0.362 . . . . 0.0 110.606 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.76 -22.6 45.62 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.86 2.373 . . . . 0.0 112.422 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -66.43 -27.11 67.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -97.85 6.59 47.61 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.8 m -43.68 -41.75 4.93 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.69 -46.12 73.19 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.505 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -63.62 -45.43 90.3 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.16 -42.13 76.51 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 12' ' ' ALA . 59.0 tp -61.19 -51.54 68.57 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.92 91.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.839 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -59.98 -32.88 71.25 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.915 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.52 85.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.72 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -61.79 -48.89 78.58 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.367 0.417 . . . . 0.0 110.605 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.72 -38.64 91.68 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -62.88 -51.24 67.74 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.299 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.21 -38.68 90.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.29 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.86 -51.31 27.2 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.909 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 HE22 ' HA ' ' A' ' 22' ' ' LEU . 26.5 mt-30 -68.25 -27.56 66.46 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.633 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 158.04 8.0 Favored Pre-proline 0 CA--C 1.539 0.526 0 O-C-N 123.208 0.317 . . . . 0.0 111.281 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.03 157.15 8.64 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 123.122 2.548 . . . . 0.0 112.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.336 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.14 -66.51 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.049 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -90.51 -61.39 1.69 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.261 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -174.46 153.05 1.82 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -80.33 55.27 2.2 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.516 0.674 . . . . 0.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -67.89 -38.58 83.19 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.038 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -60.34 -40.83 92.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.51 -32.1 72.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.594 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.9 mtt -57.85 -28.68 64.35 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.634 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.45 -33.69 66.13 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -61.62 -33.45 73.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.959 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.02 97.14 3.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.324 0.39 . . . . 0.0 111.016 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -160.96 -79.63 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.708 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -59.01 -26.9 64.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.263 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.19 -36.78 68.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.24 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.4 mt -65.57 -42.7 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.044 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.83 72.72 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.79 -38.41 75.45 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.544 0.528 . . . . 0.0 111.522 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.24 120.66 63.77 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -87.55 -21.28 1.87 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 123.444 2.763 . . . . 0.0 115.43 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.522 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -83.17 -6.33 59.44 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.2 mt -73.57 132.84 43.27 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.817 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.558 ' H ' HE21 ' A' ' 26' ' ' GLN . 64.2 t30 -55.18 150.05 11.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.092 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -54.18 -41.56 68.68 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.11 -45.52 73.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.222 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.558 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.1 mt-30 -60.85 -40.57 93.38 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.753 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.28 -62.12 2.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.322 0.389 . . . . 0.0 110.527 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -58.62 -35.58 72.71 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.926 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.36 97.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.62 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.94 -56.41 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -54.44 -43.57 63.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.52 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -64.7 -42.85 95.0 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.341 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -60.37 -34.61 74.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -39.9 86.45 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.231 0.332 . . . . 0.0 110.426 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.19 -45.69 76.15 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.174 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.65 -39.34 88.18 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.093 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -141.63 76.42 20.57 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.466 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.12 -19.71 64.61 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.546 2.164 . . . . 0.0 112.18 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -58.71 -33.12 69.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -87.87 5.71 39.06 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 p -36.84 -56.11 0.87 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.41 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -63.94 -46.07 86.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.58 -39.38 80.17 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.002 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.87 -47.76 83.55 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.94 99.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.485 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -62.83 -39.15 93.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.404 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.12 93.64 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -63.69 -35.26 79.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.599 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -59.79 -47.69 84.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.24 -39.31 94.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.965 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 21' ' ' ASN . 0.5 OUTLIER -62.32 -48.12 81.24 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.036 178.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.29 -38.84 90.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.055 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.41 21.56 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.843 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.524 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.9 mt-30 -67.17 -27.87 67.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.76 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.53 27.87 Favored Pre-proline 0 N--CA 1.469 0.494 0 O-C-N 123.242 0.339 . . . . 0.0 111.044 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.11 151.01 84.8 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.553 2.169 . . . . 0.0 111.748 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.382 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.91 -173.45 4.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.589 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -57.75 -18.73 23.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.374 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -50.2 -40.85 48.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -59.9 -62.97 1.48 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.291 0.369 . . . . 0.0 111.196 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -60.89 -37.54 82.55 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.693 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.69 -50.36 73.8 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.017 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.79 -38.34 73.37 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -25.7 20.5 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -57.06 -30.69 64.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.534 0.207 . . . . 0.0 110.917 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.77 -4.63 58.22 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.914 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.45 110.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.404 -0.118 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -167.59 -89.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.106 0.254 . . . . 0.0 111.21 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -59.16 -26.96 65.22 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -58.03 -34.41 70.02 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.058 0.224 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -68.41 -46.51 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.765 0.317 . . . . 0.0 110.307 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.67 -29.82 71.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.9 tp -57.72 -38.73 75.78 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.387 0.429 . . . . 0.0 111.547 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.08 119.79 58.53 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -88.33 -27.07 0.52 Allowed 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 123.677 2.918 . . . . 0.0 116.129 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.44 HD21 ' ND2' ' A' ' 52' ' ' ASN . 44.7 p-10 -81.71 -1.64 47.71 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HE22 ' A' ' 55' ' ' GLN . 10.3 mt -73.31 137.71 44.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.547 ' H ' HE21 ' A' ' 26' ' ' GLN . 40.2 t30 -57.63 142.78 43.74 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.369 0.418 . . . . 0.0 110.541 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -48.2 -42.64 30.49 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.59 -41.78 87.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.573 0.225 . . . . 0.0 110.976 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.547 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.4 mt-30 -64.57 -38.86 92.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.907 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -58.85 -57.94 10.81 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.861 0.362 . . . . 0.0 110.547 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.7 -37.03 84.87 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.06 92.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.099 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.74 -62.67 1.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.189 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.98 -41.82 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.408 0.443 . . . . 0.0 111.868 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -61.44 -49.67 75.89 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.3 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.84 -35.53 80.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.32 -45.07 92.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.075 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.31 -44.91 93.66 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.661 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.17 -40.87 97.48 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -132.88 84.96 47.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.406 0.441 . . . . 0.0 110.654 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.66 -15.84 51.0 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.395 2.063 . . . . 0.0 112.58 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -69.51 -23.73 63.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.71 -4.98 39.79 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -45.67 -37.48 5.78 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.41 74.19 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -63.13 -44.8 94.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.476 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.63 -40.9 80.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.982 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.73 -45.81 92.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.97 92.83 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -62.71 -36.46 83.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.424 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.37 93.37 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -63.19 -36.94 85.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.657 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -62.97 -51.72 65.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.13 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.43 -42.7 98.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.089 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' HD21 ' A' ' 21' ' ' ASN . 24.6 t-20 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.769 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.62 -40.19 92.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.327 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.82 -51.29 27.63 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.309 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.524 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.83 -27.95 67.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.07 146.58 49.39 Favored Pre-proline 0 CA--C 1.538 0.504 0 O-C-N 123.2 0.312 . . . . 0.0 111.662 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.93 153.61 47.54 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 123.109 2.539 . . . . 0.0 112.249 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.507 179.731 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.33 -71.94 0.19 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -90.31 -61.26 1.72 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -170.25 151.46 3.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.992 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -90.15 21.67 3.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.52 -31.59 72.38 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.58 -37.9 79.75 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.77 -0.196 . . . . 0.0 111.44 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -65.12 -30.11 71.02 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -56.95 -27.12 60.82 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.61 -32.2 40.4 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -62.1 -37.79 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.721 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' HD22 ' A' ' 45' ' ' LEU . . . -126.57 93.31 3.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -154.62 -83.15 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -60.24 -29.83 69.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.428 0.156 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -56.97 -34.19 67.84 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.13 -42.51 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.89 69.97 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.4 -37.34 75.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.556 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.24 121.41 59.31 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -86.68 -20.87 2.38 Favored 'Trans proline' 0 N--CA 1.504 2.137 0 C-N-CA 123.677 2.918 . . . . 0.0 116.248 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.43 HD21 ' ND2' ' A' ' 52' ' ' ASN . 46.6 p30 -89.93 -1.65 58.02 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' HA ' HE22 ' A' ' 55' ' ' GLN . 20.7 mt -75.08 131.81 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.484 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.492 ' H ' HE21 ' A' ' 26' ' ' GLN . 25.0 t-20 -54.2 148.52 11.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.098 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -51.7 -41.18 61.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.74 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.84 -41.36 87.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.974 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' LEU . 26.3 mt-30 -63.21 -41.02 99.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.808 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -60.1 -56.39 22.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.718 0.295 . . . . 0.0 110.559 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.77 -35.81 79.22 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.661 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.99 98.08 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.602 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.1 -51.5 67.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.671 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.18 -43.25 92.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -44.81 83.54 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.098 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -28.74 69.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.66 -41.93 98.14 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.992 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -72.4 -46.89 53.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 110.1 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.37 -45.8 92.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.692 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -138.95 78.08 30.39 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.58 -17.34 59.56 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.718 2.279 . . . . 0.0 112.707 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.7 p -62.65 -23.92 67.34 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -98.77 8.65 44.72 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -43.41 -42.83 4.9 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.09 77.45 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.827 0.346 . . . . 0.0 110.51 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -64.38 -42.33 96.22 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.57 -40.74 83.95 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.314 0.384 . . . . 0.0 110.975 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 12' ' ' ALA . 41.5 tp -61.33 -49.63 76.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.92 93.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.777 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.66 -37.82 87.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.113 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.92 94.92 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -64.47 -40.51 95.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.517 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.41 -49.91 75.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.034 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD13 ' CD ' ' A' ' 26' ' ' GLN . 73.1 mt -61.43 -44.28 97.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.007 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HB2' HD23 ' A' ' 19' ' ' LEU . 24.8 t-20 -60.3 -49.21 78.51 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.484 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.86 -38.29 87.69 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.659 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -51.3 14.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.511 HE22 ' HA ' ' A' ' 22' ' ' LEU . 23.3 mt-30 -67.51 -27.96 67.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 158.38 6.71 Favored Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 123.247 0.342 . . . . 0.0 111.472 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.88 161.42 4.74 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 123.191 2.594 . . . . 0.0 113.036 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.33 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.46 -75.31 0.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.392 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -90.38 -60.64 1.87 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -166.93 141.87 4.09 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.082 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -80.82 36.98 0.41 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.868 0.366 . . . . 0.0 111.845 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.568 HD22 ' H ' ' A' ' 6' ' ' ASN . 1.2 p30 -82.22 -3.81 55.81 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.81 -45.62 91.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.391 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.65 -32.27 73.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mtt -56.28 -30.67 62.78 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.351 0.407 . . . . 0.0 111.268 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -55.89 -25.25 41.88 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -80.77 0.36 35.08 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.27 89.21 0.76 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CG ' ' N ' ' A' ' 14' ' ' TRP . 15.6 p90 -167.42 -59.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.991 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.545 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 p-90 -60.05 -33.35 71.92 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 122.859 0.099 . . . . 0.0 111.221 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.18 -35.37 80.09 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.298 0.374 . . . . 0.0 110.493 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.98 -47.05 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.25 72.02 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.428 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.17 -39.63 90.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.007 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.75 122.43 74.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 122.939 0.149 . . . . 0.0 110.877 -178.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -87.43 -20.57 2.09 Favored 'Trans proline' 0 N--CA 1.506 2.211 0 C-N-CA 123.868 3.045 . . . . 0.0 115.142 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -38.77 87.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.556 0.217 . . . . 0.0 111.254 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.806 HD12 ' H ' ' A' ' 22' ' ' LEU . 2.9 mp -74.74 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.995 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -61.62 167.35 3.55 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -54.09 -37.01 63.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.532 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -61.42 -48.64 80.26 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.096 0.248 . . . . 0.0 111.493 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.49 -40.96 96.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.741 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -59.19 -56.22 24.96 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.972 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.64 -36.84 85.15 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.18 93.99 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.938 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.39 -55.66 25.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.254 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.19 -44.66 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 123.458 0.474 . . . . 0.0 110.524 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -62.97 -45.48 92.25 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.234 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.0 t -60.93 -32.72 72.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.782 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -40.19 83.66 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 110.091 -0.336 . . . . 0.0 110.091 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.28 -40.4 81.83 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.42 -44.35 94.84 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.194 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -147.43 80.04 9.35 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.162 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.48 -15.21 39.69 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.232 1.955 . . . . 0.0 112.445 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -59.53 -27.68 66.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -93.16 6.42 48.06 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.264 0.352 . . . . 0.0 111.415 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 p -39.76 -54.27 2.11 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.34 97.25 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.37 -41.94 88.7 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.171 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.1 -40.64 94.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.69 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.69 -47.81 83.63 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.11 93.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.491 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.01 -37.99 89.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -65.05 -40.25 94.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.472 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.84 -52.75 62.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.49 -37.3 86.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.069 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.419 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.56 -48.12 82.9 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -36.56 84.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.629 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.9 39.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.265 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.415 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.1 mt-30 -77.26 -14.73 59.7 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.27 148.27 72.91 Favored Pre-proline 0 CA--C 1.539 0.525 0 O-C-N 123.102 0.252 . . . . 0.0 111.055 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.95 153.7 47.52 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.975 2.45 . . . . 0.0 112.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.502 179.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.817 HG22 ' H ' ' A' ' 2' ' ' ASP . 4.4 p . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.817 ' H ' HG22 ' A' ' 1' ' ' VAL . 15.7 t70 -62.2 148.41 44.75 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 111.011 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.71 -22.41 34.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.961 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -52.28 -38.13 57.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.52 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.642 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -61.17 -37.31 82.45 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.01 -47.39 86.67 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.803 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.92 -43.24 96.53 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.662 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.9 mtt -57.76 -27.95 63.5 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.517 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -53.52 -36.16 61.48 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.735 0.302 . . . . 0.0 110.211 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -69.23 -31.75 70.53 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.704 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.6 118.98 5.98 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.988 0.18 . . . . 0.0 111.408 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -165.26 -87.73 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.45 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 p90 -58.91 -26.08 64.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -58.12 -34.68 70.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.181 0.301 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.96 -50.24 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.411 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.56 70.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.96 -38.13 75.44 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -63.68 121.54 71.23 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.466 -179.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.81 -22.13 1.98 Allowed 'Trans proline' 0 N--CA 1.506 2.208 0 C-N-CA 123.678 2.919 . . . . 0.0 115.335 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -37.37 85.18 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 22' ' ' LEU . 3.8 mp -74.7 129.1 37.1 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.792 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.536 ' H ' HE21 ' A' ' 26' ' ' GLN . 49.6 t30 -54.71 157.45 3.03 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -50.17 63.32 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.356 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -60.36 -35.56 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.898 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.536 HE21 ' H ' ' A' ' 23' ' ' ASN . 42.1 mt-30 -66.7 -50.8 61.66 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.72 -42.51 97.9 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.964 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.0 -38.55 91.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.84 90.71 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.204 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.12 -56.93 15.08 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.155 0.284 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -54.01 -43.81 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.522 0.514 . . . . 0.0 111.309 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttt85 -60.05 -49.17 78.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.823 0.345 . . . . 0.0 110.18 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -63.55 -34.83 78.68 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.739 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -44.13 93.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.67 -45.8 91.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.088 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.16 -38.53 89.39 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -139.8 84.08 15.85 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.928 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.92 -18.07 54.93 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.116 1.877 . . . . 0.0 111.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -58.11 -32.44 68.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.778 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.9 1.48 53.94 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.147 0.279 . . . . 0.0 111.617 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.1 p -44.26 -48.66 9.48 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.74 92.01 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -69.62 -49.47 53.57 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.71 -38.85 75.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.64 -49.26 75.86 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.39 88.59 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.569 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -63.31 -36.27 83.12 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.412 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.21 93.17 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -63.75 -39.41 94.21 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.671 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.92 -52.77 62.73 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.93 -37.15 86.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.108 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -59.1 -48.98 79.63 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.69 -36.99 85.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.674 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.11 -51.79 23.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.443 HE22 ' HA ' ' A' ' 22' ' ' LEU . 15.0 mt-30 -71.89 -22.25 61.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.47 145.1 50.35 Favored Pre-proline 0 N--CA 1.472 0.671 0 O-C-N 123.058 0.224 . . . . 0.0 111.322 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.68 146.82 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.76 2.306 . . . . 0.0 112.234 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.275 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -69.08 -67.67 0.46 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.978 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.13 -60.82 1.83 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -178.97 155.33 0.75 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.685 0.616 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -84.49 54.32 2.97 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.72 0.771 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -67.34 -32.52 73.52 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.027 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -58.11 -39.27 78.23 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -62.3 -34.26 76.24 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.133 0.271 . . . . 0.0 111.168 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -27.64 58.71 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.037 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -54.58 -35.97 63.89 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.37 3.64 23.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.103 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 88.94 0.33 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.707 0.289 . . . . 0.0 110.948 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -162.61 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.743 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -58.95 -30.46 67.91 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.07 0.231 . . . . 0.0 111.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.46 -35.02 67.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.294 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.68 -41.89 85.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.245 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.28 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.26 -38.16 73.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 52' ' ' ASN . 2.8 mp -60.82 121.54 62.31 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -87.15 -21.93 1.87 Allowed 'Trans proline' 0 N--CA 1.505 2.182 0 C-N-CA 123.738 2.959 . . . . 0.0 116.348 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.428 HD21 ' ND2' ' A' ' 52' ' ' ASN . 45.2 p30 -88.39 -1.5 58.07 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.1 mt -74.41 138.89 43.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.426 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.0 t-20 -59.0 144.2 45.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.173 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -50.42 -40.87 51.38 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.081 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.05 -43.04 83.71 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.101 0.251 . . . . 0.0 111.039 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.573 HE21 ' H ' ' A' ' 23' ' ' ASN . 28.5 mt-30 -63.17 -39.76 95.6 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.1 -58.43 8.55 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.7 0.286 . . . . 0.0 110.496 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -59.77 -36.59 77.0 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.527 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.94 98.32 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.836 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -59.0 -60.95 3.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.19 -45.33 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.344 0.403 . . . . 0.0 111.241 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.17 -47.89 84.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.776 0.322 . . . . 0.0 110.28 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.27 -33.34 75.29 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -40.75 93.66 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.522 0.514 . . . . 0.0 109.979 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.04 -43.24 88.09 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.639 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.98 -37.21 86.22 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.634 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -153.47 80.4 5.2 Favored Pre-proline 0 N--CA 1.469 0.476 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.28 -11.45 25.49 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.019 1.813 . . . . 0.0 111.628 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -57.53 -32.48 67.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.294 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.78 13.23 35.62 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -47.23 -37.73 10.99 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.79 86.03 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.858 0.361 . . . . 0.0 110.173 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.54 -43.19 99.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.73 -39.63 81.44 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.94 -46.37 88.07 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.41 93.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -36.51 80.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.815 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.84 91.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -63.66 -39.55 94.62 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.528 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -62.18 -49.12 77.09 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 51' ' ' LEU . 82.9 mt -63.96 -43.38 95.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.03 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' HB2' HD23 ' A' ' 19' ' ' LEU . 25.3 t-20 -57.73 -49.02 77.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.768 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.08 -38.95 90.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -51.5 18.59 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.15 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.494 HE22 ' HA ' ' A' ' 22' ' ' LEU . 16.6 mt-30 -67.05 -27.88 67.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.764 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.22 145.29 67.15 Favored Pre-proline 0 CA--C 1.538 0.498 0 O-C-N 123.279 0.362 . . . . 0.0 111.235 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.47 153.52 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.915 2.41 . . . . 0.0 112.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.537 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.11 -37.7 72.35 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -90.15 -41.37 11.67 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -58.98 -46.95 86.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -57.39 6.5 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -64.22 -38.91 92.75 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.02 -39.81 91.16 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.04 -37.65 88.02 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -61.52 -27.62 68.73 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.814 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.32 -29.19 60.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -87.5 -2.73 58.82 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.26 107.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.932 0.145 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -163.66 -88.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.229 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -58.72 -27.07 64.55 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.375 0.139 . . . . 0.0 111.375 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -56.26 -34.91 66.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.73 -41.46 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.19 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 -28.25 67.86 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.299 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.14 -37.82 72.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.399 0.437 . . . . 0.0 111.171 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.57 120.3 61.56 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -87.76 -26.21 0.77 Allowed 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 123.672 2.915 . . . . 0.0 116.009 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -83.59 -1.38 53.71 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HA ' HE22 ' A' ' 55' ' ' GLN . 15.7 mt -73.24 135.19 44.49 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.591 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.1 t-20 -52.01 146.22 8.97 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -51.02 -40.38 58.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.337 0.398 . . . . 0.0 112.007 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.72 -41.47 78.99 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.272 0.357 . . . . 0.0 111.452 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.591 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.38 -39.71 94.08 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.72 -62.56 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.724 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.61 -32.39 68.97 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.12 86.83 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.779 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -59.57 -49.9 75.96 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.39 -42.85 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.374 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -69.75 -37.18 76.34 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -58.28 -35.87 72.44 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.15 -41.57 79.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.108 0.255 . . . . 0.0 110.368 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -64.23 -42.62 96.48 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.616 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.01 -38.65 86.83 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.359 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.23 95.39 1.23 Allowed Pre-proline 0 CA--C 1.551 1.002 0 O-C-N 123.172 0.295 . . . . 0.0 111.0 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.64 -16.93 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.808 1.672 . . . . 0.0 112.009 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.2 p -60.94 -26.34 67.43 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.494 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -93.08 1.28 57.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.2 m -44.27 -40.11 4.97 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.48 73.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.874 0.368 . . . . 0.0 110.248 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.06 -46.11 82.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.98 -41.28 78.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.253 0.346 . . . . 0.0 111.138 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.03 -47.73 83.43 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.91 98.25 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.67 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -63.76 -40.18 96.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.657 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.55 97.46 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.0 -38.38 90.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.277 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -58.81 -45.84 88.99 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.533 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.15 -43.18 99.05 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -60.72 -48.36 82.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.71 -38.61 88.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.35 -50.92 14.44 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.518 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.8 mt-30 -67.27 -27.88 67.57 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 144.27 62.2 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 123.181 0.3 . . . . 0.0 111.608 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.47 153.61 44.68 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.007 2.471 . . . . 0.0 112.171 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttp . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.465 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.35 -65.28 0.14 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.91 -41.98 88.54 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.228 0.33 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.95 71.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -80.17 -58.7 3.02 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -66.67 -41.24 88.47 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -59.19 -39.23 81.92 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.91 -39.17 91.09 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -61.6 -29.45 70.05 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -55.18 -27.42 45.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 121.355 -0.138 . . . . 0.0 111.21 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -85.44 -0.99 56.56 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.857 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.13 104.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.921 0.138 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -165.06 -82.08 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.481 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -58.72 -26.67 64.15 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.55 -34.74 62.33 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.156 0.285 . . . . 0.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.03 -46.59 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.41 69.7 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.951 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.15 -40.51 81.54 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.428 0.455 . . . . 0.0 110.594 -179.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.58 120.01 58.95 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -87.49 -10.58 5.36 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 123.485 2.79 . . . . 0.0 115.956 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.548 HD21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 p30 -96.02 -5.72 40.45 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.439 0.563 . . . . 0.0 112.479 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.501 ' HA ' HE22 ' A' ' 55' ' ' GLN . 18.3 mt -69.86 134.21 48.22 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.738 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' H ' HE21 ' A' ' 26' ' ' GLN . 63.0 t30 -59.65 144.91 46.55 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.104 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.89 -41.94 62.32 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.96 -45.4 89.3 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.576 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -63.28 -38.87 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.64 -60.72 3.36 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -58.59 -40.21 82.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.11 81.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.578 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -48.5 81.4 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.61 -42.0 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.816 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.4 -34.51 76.15 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.747 0.308 . . . . 0.0 110.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -59.6 -34.81 73.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.089 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 34' ' ' LEU . 3.3 mm? -53.01 -51.22 62.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.145 0.278 . . . . 0.0 110.451 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -62.94 -39.59 95.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.099 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.88 -43.45 98.42 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.787 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -147.15 85.41 6.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 123.071 0.232 . . . . 0.0 111.436 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 50.2 Cg_endo -66.05 -15.35 48.29 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.545 2.163 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -69.41 -25.12 63.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.58 3.05 45.21 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.165 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -45.37 -37.38 4.91 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.97 70.34 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.91 0.386 . . . . 0.0 109.979 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -63.47 -45.91 88.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.501 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.51 -40.39 71.71 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.85 -46.31 88.49 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.03 99.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.43 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.47 -36.83 85.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.584 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.49 92.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -63.73 -37.44 87.37 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.502 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -58.83 -45.15 90.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.391 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 79.8 mt -61.3 -44.37 97.32 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.548 ' ND2' HD21 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.3 -48.97 77.52 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.408 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.02 -38.51 88.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.49 -50.94 22.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.567 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.501 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.3 mt-30 -67.49 -27.42 66.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.884 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 145.45 49.29 Favored Pre-proline 0 N--CA 1.47 0.567 0 O-C-N 123.211 0.32 . . . . 0.0 111.435 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.14 153.48 41.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.987 2.458 . . . . 0.0 112.304 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.45 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -61.09 -37.18 81.81 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.844 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -57.17 -37.34 71.96 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.802 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -94.09 -13.52 26.74 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -59.84 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -59.38 -37.76 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -60.4 -43.94 96.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.67 -45.86 70.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.73 -29.81 66.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.322 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -55.42 -34.05 64.09 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.703 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.23 -0.81 57.54 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.58 108.32 0.26 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.453 0.168 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -164.82 -97.91 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.872 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -55.65 -25.22 38.12 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.062 0.226 . . . . 0.0 111.6 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -56.27 -34.78 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.129 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.24 -40.59 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.71 -28.06 67.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.294 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.8 tp -58.35 -37.3 74.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.364 0.415 . . . . 0.0 111.336 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 52' ' ' ASN . 3.1 mp -61.88 121.89 68.18 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -87.12 -20.74 2.18 Favored 'Trans proline' 0 N--CA 1.505 2.196 0 C-N-CA 123.642 2.894 . . . . 0.0 116.285 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 HD21 ' ND2' ' A' ' 52' ' ' ASN . 46.4 p30 -90.97 -1.69 57.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HA ' HE22 ' A' ' 55' ' ' GLN . 11.0 mt -73.37 140.45 46.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.388 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.581 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.2 t-20 -59.82 144.1 49.4 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -50.67 -41.24 55.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -67.52 -42.92 82.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.581 HE21 ' H ' ' A' ' 23' ' ' ASN . 29.8 mt-30 -64.45 -43.82 93.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.91 -50.75 72.16 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.086 0.241 . . . . 0.0 110.934 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -65.16 -37.52 87.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.581 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.3 94.17 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.724 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.3 -58.45 8.44 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.34 -45.53 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 123.248 0.343 . . . . 0.0 111.42 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -61.23 -46.63 89.61 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.621 0.248 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.7 m -61.73 -35.15 77.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.74 88.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.465 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.05 -39.59 95.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.878 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.81 -44.84 96.35 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.78 98.86 4.44 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.26 -17.6 57.93 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 121.781 1.654 . . . . 0.0 112.043 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -58.31 -32.42 68.44 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.51 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -83.66 -4.12 58.32 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -39.51 -55.86 1.73 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.1 93.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.3 -48.37 70.59 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.204 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.84 -40.11 79.32 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 111.18 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.0 -45.81 91.97 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.48 93.91 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -61.79 -37.03 82.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.871 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.8 91.71 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -63.63 -39.65 94.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.497 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -62.3 -50.43 71.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.611 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 51' ' ' LEU . 75.3 mt -63.23 -43.67 97.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.444 ' HB2' HD23 ' A' ' 19' ' ' LEU . 25.1 t-20 -57.59 -48.35 79.61 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.34 -40.36 96.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.377 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.61 -51.41 19.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.165 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.505 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.13 -27.99 68.46 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.755 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.43 147.69 57.99 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 123.271 0.357 . . . . 0.0 111.159 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.96 158.26 58.62 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.922 2.415 . . . . 0.0 111.928 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 117.81 -1.091 . . . . 0.0 111.989 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -70.1 -72.09 0.21 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.341 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -90.02 -61.07 1.77 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.65 154.0 4.32 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.533 0.521 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.05 49.32 1.76 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.521 0.677 . . . . 0.0 111.466 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -65.69 -33.32 75.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.872 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -58.44 -38.7 78.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.93 -31.85 72.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.362 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.5 mtt -57.63 -28.71 63.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -55.84 -34.17 65.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.713 0.292 . . . . 0.0 110.916 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.41 -32.08 72.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.045 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.61 93.52 2.8 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.33 0.394 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -156.24 -82.19 0.07 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -58.17 -29.74 65.84 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.041 0.213 . . . . 0.0 111.343 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -56.67 -36.84 70.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.122 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.32 -42.82 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.05 68.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.98 -39.99 75.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.964 -179.205 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.61 120.23 50.81 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -87.83 -22.42 1.5 Allowed 'Trans proline' 0 N--CA 1.505 2.156 0 C-N-CA 123.696 2.93 . . . . 0.0 116.239 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -88.9 -0.6 57.52 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' HA ' HE22 ' A' ' 55' ' ' GLN . 17.1 mt -72.6 135.56 45.56 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.471 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.559 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.5 t-20 -52.12 146.42 8.94 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.542 0.527 . . . . 0.0 110.03 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.39 -42.68 43.05 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -70.74 -41.22 72.11 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.624 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.559 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.0 mt-30 -60.72 -36.26 78.41 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -59.05 -62.36 1.95 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.929 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -62.01 -31.69 72.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.294 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.71 92.4 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.3 0.375 . . . . 0.0 111.495 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.02 -52.46 62.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.305 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.84 -42.25 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -66.75 -48.39 69.24 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.162 0.506 . . . . 0.0 110.199 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.6 p -63.29 -21.94 66.56 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.658 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -56.16 -56.97 14.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -69.1 -39.12 79.18 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.95 -38.71 89.52 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.274 0.359 . . . . 0.0 111.194 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -136.13 75.56 53.34 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -61.19 -27.58 83.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.988 2.458 . . . . 0.0 112.927 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.5 t -63.6 -27.14 69.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.818 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -94.74 -0.7 54.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.844 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 p -40.99 -51.67 3.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.08 98.87 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.92 0.391 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -65.19 -45.42 84.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 34' ' ' LEU . 93.0 mt -56.72 -41.05 76.77 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.83 -46.44 89.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.1 99.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.13 -38.55 89.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.628 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.07 87.61 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -62.48 -35.57 79.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.611 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -60.68 -45.64 93.41 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.948 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.63 -41.73 98.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.814 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.5 -48.93 79.6 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.08 -38.83 90.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.397 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.43 -51.09 15.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.308 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.513 HE22 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt-30 -67.27 -27.88 67.56 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.92 8.33 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.142 0.276 . . . . 0.0 111.728 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.82 157.09 8.27 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 123.216 2.611 . . . . 0.0 112.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 N--CA 1.468 0.441 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.415 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -55.93 -38.71 70.66 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.285 0.365 . . . . 0.0 111.24 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -59.2 -36.27 75.07 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.474 0.484 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -84.09 -54.58 4.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.393 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -59.68 4.04 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.947 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -58.6 -40.78 84.21 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.73 -41.05 97.14 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.55 -35.14 78.49 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -58.72 -31.51 68.35 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.951 0.157 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.85 -35.93 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.639 0.257 . . . . 0.0 110.576 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.77 -28.82 66.09 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.399 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.91 4.25 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.08 0.238 . . . . 0.0 111.566 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -169.37 -95.92 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.212 0.32 . . . . 0.0 110.692 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -55.73 -33.06 63.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.43 0.157 . . . . 0.0 111.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -54.65 -37.36 65.61 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.737 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.79 -41.2 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 0.0 110.306 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -27.81 68.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.318 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.1 tp -56.69 -37.88 71.5 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.339 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.16 119.49 52.99 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -87.8 -29.53 0.34 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 123.459 2.773 . . . . 0.0 115.419 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.547 HD21 ' ND2' ' A' ' 52' ' ' ASN . 1.8 p30 -75.29 -9.79 58.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.0 mt -69.62 130.89 43.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.354 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' H ' ' NE2' ' A' ' 26' ' ' GLN . 81.3 m-20 -52.96 150.32 5.64 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 123.812 0.695 . . . . 0.0 110.052 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -50.46 -42.55 54.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -68.34 -40.43 81.58 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.424 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' NE2' ' H ' ' A' ' 23' ' ' ASN . 26.5 mt-30 -60.72 -42.09 96.59 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.63 -63.09 1.42 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.138 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -57.3 -34.86 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.515 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.22 97.62 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.318 0.386 . . . . 0.0 111.907 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -60.58 3.53 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.48 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.51 -41.8 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 O-C-N 123.261 0.351 . . . . 0.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -62.51 -52.2 64.41 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -63.64 -27.23 69.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -46.6 89.75 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.491 0.494 . . . . 0.0 109.845 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.87 -44.8 92.01 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.697 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.89 -40.41 88.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.758 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -134.72 86.48 33.51 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.737 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.29 -14.58 44.84 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 121.973 1.782 . . . . 0.0 112.45 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -71.58 -23.16 61.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.02 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.64 -3.58 39.14 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.542 0.526 . . . . 0.0 112.168 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 m -45.92 -38.99 8.15 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.04 78.08 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.19 -47.45 82.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.09 -41.27 71.39 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.069 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -61.66 -45.95 91.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.41 96.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -65.6 -34.82 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.095 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.11 81.36 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -62.61 -33.93 75.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.615 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -58.87 -51.31 70.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.146 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.491 HD13 ' CD ' ' A' ' 26' ' ' GLN . 68.0 mt -63.08 -40.86 98.9 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.095 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.547 ' ND2' HD21 ' A' ' 21' ' ' ASN . 1.8 t-20 -59.79 -49.57 77.19 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.328 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.92 -38.77 89.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.25 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.058 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.542 HE22 ' HA ' ' A' ' 22' ' ' LEU . 17.0 mt-30 -66.98 -27.19 67.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.883 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.77 145.72 40.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 123.198 0.311 . . . . 0.0 111.605 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.21 153.5 46.0 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.923 2.415 . . . . 0.0 112.387 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.505 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.32 -69.05 0.34 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -91.16 -61.79 1.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.426 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -172.83 153.02 2.56 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.0 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -79.0 56.72 2.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.576 0.703 . . . . 0.0 111.847 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -69.71 -36.8 76.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.906 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.34 -38.34 83.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.6 -30.82 70.93 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.186 0.303 . . . . 0.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.8 mtt -57.95 -29.32 65.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.287 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.56 -33.55 66.26 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.64 0.257 . . . . 0.0 110.899 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -61.52 -31.91 71.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.113 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.92 98.23 3.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.796 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -159.31 -83.6 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.456 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -58.85 -26.88 64.61 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -56.21 -37.27 69.45 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.028 0.205 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.21 -46.63 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -24.23 67.77 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.08 -43.34 86.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -179.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.9 mm? -64.92 120.53 67.42 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -88.53 -19.24 1.87 Allowed 'Trans proline' 0 N--CA 1.502 2.016 0 C-N-CA 123.528 2.819 . . . . 0.0 115.491 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -85.36 -2.04 57.66 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' HA ' HE22 ' A' ' 55' ' ' GLN . 24.1 mt -74.56 132.34 41.73 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.487 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' H ' HE21 ' A' ' 26' ' ' GLN . 80.7 m-20 -53.83 142.61 23.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.613 0.57 . . . . 0.0 109.852 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -47.71 -43.56 26.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.33 -44.71 94.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.8 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.54 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.2 mt-30 -62.16 -38.18 88.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.119 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -60.56 -53.08 61.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.844 0.354 . . . . 0.0 110.125 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -65.87 -36.64 84.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.78 72.72 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.502 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -60.83 -55.32 34.5 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.17 -47.42 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 123.145 0.278 . . . . 0.0 111.298 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.27 -44.54 79.07 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.7 p -61.76 -25.58 67.55 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.597 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -43.45 97.24 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.1 -41.5 81.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.529 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.49 -40.72 95.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.504 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.91 80.3 11.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 120.999 0.428 . . . . 0.0 110.782 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 -22.75 31.13 Favored 'Trans proline' 0 N--CA 1.502 2.022 0 C-N-CA 122.959 2.439 . . . . 0.0 112.618 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -59.75 -26.69 65.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -94.63 3.41 55.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.299 0.374 . . . . 0.0 111.528 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 p -39.44 -56.52 1.59 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.94 93.14 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.101 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -67.07 -47.19 72.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.234 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.0 -40.83 81.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.87 -48.26 81.32 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.554 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.25 -38.04 89.62 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.995 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.56 -48.05 70.86 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -62.87 -32.96 74.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.906 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.78 -45.81 92.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.724 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.37 -38.63 90.61 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.872 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.97 -49.47 75.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.025 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.98 -38.46 91.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -51.74 14.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.519 HE22 ' HA ' ' A' ' 22' ' ' LEU . 18.8 mt-30 -66.38 -27.8 68.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.99 158.05 7.49 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.268 0.355 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.29 160.31 3.52 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.934 2.423 . . . . 0.0 112.573 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.341 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -55.22 -41.09 71.59 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.473 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.03 -47.06 88.18 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.297 0.373 . . . . 0.0 110.365 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -49.19 76.88 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -53.24 60.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.207 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 6' ' ' ASN . 1.7 m120 -62.47 -30.85 71.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.16 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -56.87 -49.7 74.7 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -66.82 -39.47 87.69 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtt -54.8 -26.67 36.3 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.899 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.46 -32.21 64.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.539 0.209 . . . . 0.0 111.279 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -86.0 -0.71 56.2 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.145 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -175.76 108.46 0.09 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.417 0.151 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -162.04 -99.34 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.027 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -55.36 -26.44 41.12 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.544 0.211 . . . . 0.0 111.43 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -55.92 -33.53 64.76 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.07 -44.33 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -20.32 62.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.54 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 tp -53.79 -40.23 66.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.25 0.344 . . . . 0.0 111.903 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.22 120.11 74.65 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.25 -13.13 2.51 Favored 'Trans proline' 0 N--CA 1.507 2.269 0 C-N-CA 123.915 3.077 . . . . 0.0 117.24 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -88.49 -3.55 58.79 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.16 145.94 28.92 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.517 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' H ' HE21 ' A' ' 26' ' ' GLN . 57.1 t30 -56.48 142.39 39.06 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.792 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.08 -37.27 53.37 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.092 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.41 -41.51 93.55 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 23' ' ' ASN . 34.0 mt-30 -64.17 -44.59 91.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -58.6 -59.82 4.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -56.98 -40.2 76.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.12 99.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.622 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.46 -53.81 53.11 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.41 -41.64 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 123.01 0.194 . . . . 0.0 110.855 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -63.57 -41.73 98.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 110.834 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -61.93 -52.96 61.93 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 44' ' ' LEU . 4.4 pp -65.43 -27.89 68.84 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.418 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 34' ' ' LEU . 67.0 t80 -60.05 -41.74 92.97 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -37.8 87.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -140.55 92.34 9.15 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.383 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.07 -18.0 41.17 Favored 'Trans proline' 0 N--CA 1.506 2.221 0 C-N-CA 122.007 1.804 . . . . 0.0 112.64 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 m -58.63 -29.58 66.62 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.942 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -93.64 -3.96 51.57 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 119.71 -0.186 . . . . 0.0 111.471 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t -47.06 -40.14 14.42 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.38 79.15 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.137 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 34' ' ' LEU . 6.1 mt -59.45 -39.42 83.54 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.82 -46.54 89.05 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.19 99.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.501 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.14 -37.53 87.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.017 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.28 81.96 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -63.37 -33.72 76.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.68 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -61.3 -48.27 82.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.788 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.11 -36.1 82.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.946 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.2 -48.74 80.47 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.16 -36.86 85.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.35 18.3 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.172 -178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.88 -27.16 68.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.494 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.92 146.05 39.79 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 123.283 0.365 . . . . 0.0 111.449 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.25 153.44 40.61 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.87 2.38 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.426 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -56.7 -41.54 77.54 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.27 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -60.34 -50.54 73.22 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.219 0.324 . . . . 0.0 110.681 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.38 -47.41 84.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -57.82 -61.51 2.47 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.053 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -60.59 -38.98 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.89 -47.76 81.92 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.342 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.82 -47.38 83.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.364 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.8 mtt -57.69 -28.24 63.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -51.77 -35.15 42.67 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -69.27 -35.85 76.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.453 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.97 117.53 6.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.163 0.289 . . . . 0.0 111.296 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -165.11 -82.93 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -59.8 -29.52 68.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.515 0.198 . . . . 0.0 111.09 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -55.78 -33.5 64.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.0 -41.87 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.11 -20.0 60.4 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.386 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -55.34 -38.53 68.88 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' H ' ' A' ' 19' ' ' LEU . 1.1 mm? -63.52 120.73 65.21 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -88.8 -1.6 6.48 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 123.5 2.8 . . . . 0.0 115.6 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.6 p30 -109.06 -1.72 18.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HA ' HE22 ' A' ' 55' ' ' GLN . 30.6 mt -72.22 140.43 48.69 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.592 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.666 ' H ' HE21 ' A' ' 26' ' ' GLN . 61.3 t30 -60.89 156.14 18.11 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.457 0.473 . . . . 0.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.55 -45.67 77.23 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.604 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.44 -38.63 84.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.484 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.666 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.0 mt-30 -65.47 -47.84 74.71 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 10.1 ptpp? -65.47 -43.18 91.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.246 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 31.7 ttm180 -63.29 -39.67 95.24 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.201 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.77 92.97 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.386 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -59.34 -61.19 2.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.781 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.0 mt -51.8 -43.72 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -64.25 -49.16 72.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.641 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -62.04 -33.82 75.08 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.016 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.39 -44.03 92.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -63.36 -42.36 98.89 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.88 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.16 -39.1 88.84 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.02 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.33 88.37 8.09 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.305 0.378 . . . . 0.0 110.674 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.02 -15.69 45.18 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.127 1.884 . . . . 0.0 111.996 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -61.96 -29.03 69.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.633 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -96.29 -1.57 47.71 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -46.42 -37.25 7.41 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.045 0.384 . . . . 0.0 111.716 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.25 75.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.15 -40.96 82.71 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.478 0.486 . . . . 0.0 110.973 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.78 -47.86 83.28 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.75 97.94 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.548 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.12 -40.43 95.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.169 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.42 91.06 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -65.43 -33.02 74.97 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.408 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.72 -49.63 74.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 35.7 mt -63.49 -37.93 89.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.822 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.54 -48.69 80.66 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.172 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.62 -38.26 90.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.302 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.7 -51.6 22.14 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.22 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.484 HE22 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt-30 -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.24 145.11 58.34 Favored Pre-proline 0 CA--C 1.539 0.549 0 O-C-N 123.133 0.271 . . . . 0.0 111.309 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.13 170.19 8.08 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.719 2.279 . . . . 0.0 112.11 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 117.637 -1.173 . . . . 0.0 110.625 179.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.93 -169.56 2.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.603 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.68 -18.96 23.63 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.65 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -47.81 -39.8 19.32 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CD2' ' CE ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -59.36 -58.45 8.57 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.71 -39.13 83.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.505 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -60.93 -42.56 98.38 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.198 0.311 . . . . 0.0 111.688 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.51 -48.12 50.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.444 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.2 OUTLIER -61.27 -27.26 68.33 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.264 0.352 . . . . 0.0 111.476 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -53.59 -36.06 61.54 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.921 0.391 . . . . 0.0 110.027 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -68.82 -33.22 73.48 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.358 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.5 118.89 5.99 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.194 0.309 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -165.21 -90.61 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.886 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -56.4 -24.32 43.95 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.01 -37.36 74.13 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.136 0.272 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.02 -39.08 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.51 62.89 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.479 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.57 -37.51 73.26 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.215 0.322 . . . . 0.0 110.997 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.43 120.96 56.72 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -87.94 -21.02 1.77 Allowed 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 123.726 2.951 . . . . 0.0 116.612 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -91.53 -1.95 57.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.1 mt -67.93 140.8 56.47 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.633 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.7 t-20 -59.23 154.47 16.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.446 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.22 -41.18 75.23 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.019 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.35 -41.11 66.83 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.622 HE21 ' H ' ' A' ' 23' ' ' ASN . 31.8 mt-30 -60.95 -44.52 97.16 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 8.6 ptpp? -62.61 -45.94 90.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.006 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 57.0 ttp180 -64.36 -38.67 91.84 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.03 82.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.69 -48.61 81.0 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.035 0.21 . . . . 0.0 111.143 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.47 -40.59 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -65.75 -38.1 88.17 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.42 . . . . 0.0 109.878 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -59.08 -34.97 72.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.372 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 44' ' ' LEU . 3.3 mm? -54.49 -46.33 73.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.31 -40.43 95.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.197 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.58 -40.51 79.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.446 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.96 103.58 0.91 Allowed Pre-proline 0 CA--C 1.543 0.688 0 O-C-N 123.048 0.217 . . . . 0.0 110.967 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.16 -20.53 67.3 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.134 1.889 . . . . 0.0 111.56 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -58.16 -33.01 68.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.23 -4.86 59.1 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 p -38.63 -51.4 1.64 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.18 98.22 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -66.64 -47.07 73.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.556 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 34' ' ' LEU . 83.9 mt -57.64 -39.77 77.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.885 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.08 -48.36 80.54 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.9 98.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.499 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.45 -37.55 83.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.8 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.8 97.3 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -64.19 -35.46 80.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.646 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.19 -45.68 92.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.254 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.82 -45.85 92.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.709 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.54 -48.86 80.0 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.694 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.33 -39.03 89.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.45 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -51.4 16.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.168 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.506 HE22 ' HA ' ' A' ' 22' ' ' LEU . 25.4 mt-30 -66.56 -27.98 68.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.914 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.68 148.46 46.61 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.277 0.36 . . . . 0.0 111.413 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.64 156.66 62.65 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.892 2.395 . . . . 0.0 111.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 117.867 -1.063 . . . . 0.0 112.027 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.67 -73.21 0.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.08 -61.32 1.71 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.742 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.39 150.62 2.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -84.74 65.15 8.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.57 0.7 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 3.0 p30 -86.73 -4.5 59.18 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.368 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -69.66 -49.28 55.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.39 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.83 -30.79 70.3 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.253 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtt -54.94 -30.26 58.29 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.74 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -56.18 -35.41 67.21 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -62.19 -35.45 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.59 99.26 4.02 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.273 0.358 . . . . 0.0 111.281 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -165.01 -81.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.924 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -58.12 -31.54 67.27 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.075 0.235 . . . . 0.0 111.567 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.04 -36.78 65.9 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.26 0.35 . . . . 0.0 111.064 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG23 ' HB1' ' A' ' 48' ' ' ALA . 95.1 mt -64.51 -41.29 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.63 65.37 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.96 -39.13 77.37 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.42 0.45 . . . . 0.0 111.959 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.2 mm? -63.45 120.87 66.26 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.88 -8.58 5.84 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 123.578 2.852 . . . . 0.0 115.781 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p30 -98.05 -2.87 39.25 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HE22 ' A' ' 55' ' ' GLN . 27.6 mt -73.7 130.55 40.23 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.045 178.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.595 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -52.44 145.94 10.53 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.591 0.557 . . . . 0.0 110.082 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -51.63 -39.36 57.93 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.66 -41.71 83.32 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.595 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.2 mt-30 -64.03 -41.48 97.41 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.002 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -58.99 -56.61 20.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.86 0.362 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -61.82 -37.65 85.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.875 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.1 74.69 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.15 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.03 -53.75 54.91 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.449 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -57.75 -44.31 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.664 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.43 -43.08 98.47 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.73 0.3 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -60.88 -33.84 73.7 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -41.36 88.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.22 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -65.5 -44.31 87.43 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.63 178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.49 -41.3 98.57 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.825 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.96 79.42 10.98 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-O 120.686 0.279 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.64 -19.66 38.6 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.743 2.295 . . . . 0.0 112.688 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -57.81 -29.8 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.107 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -91.0 3.19 55.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.44 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.4 t -39.84 -48.69 2.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.7 84.81 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -64.23 -45.34 88.64 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.4 -39.81 80.72 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.81 -47.99 82.62 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.02 95.56 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.596 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -62.8 -36.41 83.07 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.315 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' ILE . . . -64.51 -48.37 75.42 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.98 -31.93 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.028 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -61.41 -45.02 96.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.774 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.81 -41.25 99.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.626 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.38 -50.47 71.42 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.373 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.9 -38.87 89.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.454 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -51.33 23.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.893 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.487 HE22 ' HA ' ' A' ' 22' ' ' LEU . 27.4 mt-30 -67.91 -27.55 66.74 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 145.29 62.56 Favored Pre-proline 0 CA--C 1.537 0.462 0 O-C-N 123.176 0.298 . . . . 0.0 111.235 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.35 149.57 40.17 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.868 2.378 . . . . 0.0 111.939 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.293 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.86 -143.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -58.38 -35.95 72.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.691 0.282 . . . . 0.0 110.442 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.8 144.8 10.38 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -77.65 60.28 2.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 111.201 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -61.43 -34.41 75.35 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.204 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.65 -44.05 93.69 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.35 -36.17 81.4 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.3 mtt -57.52 -30.04 64.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.599 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -54.91 -34.93 63.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.648 0.261 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -61.49 -32.48 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.169 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.36 3.59 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.293 0.37 . . . . 0.0 111.02 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -162.56 -81.8 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.823 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -57.79 -32.56 67.65 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.147 0.279 . . . . 0.0 111.336 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -52.38 -36.8 54.81 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.383 0.427 . . . . 0.0 111.242 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.8 mt -63.96 -41.42 92.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.88 74.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.857 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.48 -35.35 73.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.28 121.17 70.64 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -86.68 -35.09 0.12 Allowed 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 123.204 2.603 . . . . 0.0 114.511 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.423 HD21 ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -60.97 -22.93 64.94 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.544 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -64.2 128.99 38.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.015 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' HE21 ' A' ' 26' ' ' GLN . 24.2 t-20 -53.45 150.31 6.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.806 0.691 . . . . 0.0 110.096 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -52.19 -41.53 62.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -70.2 -40.68 74.45 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.919 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.611 HE21 ' H ' ' A' ' 23' ' ' ASN . 33.0 mt-30 -62.17 -36.57 82.26 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.849 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -61.37 -62.92 1.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -59.82 -34.5 73.15 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.704 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.07 83.47 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.42 -50.59 72.98 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.084 0.24 . . . . 0.0 111.437 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -57.37 -50.14 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.89 -39.19 93.72 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.793 0.33 . . . . 0.0 110.451 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -61.32 -34.28 75.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -41.95 80.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.62 -41.71 87.93 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -64.05 -40.94 97.38 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.513 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.84 79.42 11.11 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.56 -18.99 62.95 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.322 2.015 . . . . 0.0 112.283 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 t -59.31 -26.76 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.818 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -91.82 2.96 56.17 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.139 0.275 . . . . 0.0 111.295 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -36.56 -56.44 0.81 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.35 99.61 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -63.75 -43.72 95.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.721 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.46 -38.58 81.14 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.22 -47.2 85.47 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.37 94.61 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.485 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -61.45 -37.86 85.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.792 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.75 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -64.34 -36.27 83.59 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.605 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.46 -45.38 93.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.096 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.78 -45.92 90.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.541 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' ND2' HD21 ' A' ' 21' ' ' ASN . 1.0 OUTLIER -58.93 -49.26 78.5 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.407 178.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.22 -39.09 88.96 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.91 -51.32 22.74 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.9 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.544 HE22 ' HA ' ' A' ' 22' ' ' LEU . 14.1 mt-30 -67.26 -27.55 67.3 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.732 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.77 50.51 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 123.133 0.271 . . . . 0.0 111.359 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.51 153.45 49.71 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.857 2.371 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.449 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -67.59 -82.32 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -90.53 -63.51 1.26 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -159.81 154.19 23.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.904 0.752 . . . . 0.0 109.851 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -91.1 31.41 1.11 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.057 0.456 . . . . 0.0 111.271 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.09 -31.92 73.17 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.025 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.47 -40.1 85.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.287 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -62.98 -21.83 66.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.004 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.4 mmt -53.9 -28.14 34.74 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.71 -36.82 65.11 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.185 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -61.22 -35.64 77.75 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.48 98.17 4.15 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.384 0.427 . . . . 0.0 110.946 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -159.4 -90.99 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -55.73 -25.55 41.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.053 0.22 . . . . 0.0 111.509 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.38 -35.65 67.97 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.024 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.06 -41.24 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.1 68.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.358 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.0 -37.59 71.89 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.383 0.427 . . . . 0.0 111.249 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -62.23 121.47 66.48 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.33 -20.77 2.08 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 123.625 2.884 . . . . 0.0 116.16 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 HD21 ' ND2' ' A' ' 52' ' ' ASN . 45.7 p30 -90.43 -1.41 57.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' HA ' HE22 ' A' ' 55' ' ' GLN . 16.3 mt -73.01 138.78 46.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.477 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' HE21 ' A' ' 26' ' ' GLN . 23.1 t-20 -60.61 145.74 47.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.036 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -52.55 -39.46 61.47 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.76 -42.97 76.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.592 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.5 mt-30 -65.21 -44.68 87.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.261 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.76 -51.12 71.12 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.588 0.232 . . . . 0.0 111.068 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -66.03 -36.31 82.92 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.216 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.2 87.04 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.242 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.79 -53.7 54.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.52 -44.53 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 123.051 0.22 . . . . 0.0 110.635 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.09 -47.7 81.74 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -63.38 -25.82 68.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.655 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.88 -48.09 82.05 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -63.55 -42.72 98.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.3 -37.83 86.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.645 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -135.36 76.45 56.24 Favored Pre-proline 0 N--CA 1.47 0.563 0 O-C-N 123.204 0.315 . . . . 0.0 110.459 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.09 -20.42 67.68 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.471 2.114 . . . . 0.0 112.268 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -60.89 -31.59 71.07 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.82 4.08 53.68 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.061 0.226 . . . . 0.0 111.58 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -38.47 -55.87 1.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.7 98.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.7 -44.55 85.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.036 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 34' ' ' LEU . 96.7 mt -59.24 -40.2 85.18 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.436 0.46 . . . . 0.0 110.811 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.79 -48.16 81.87 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.52 87.76 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.623 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -63.96 -34.1 77.21 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.596 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.39 86.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -63.49 -37.94 89.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.31 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.89 -48.68 77.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 51' ' ' LEU . 83.6 mt -61.04 -46.89 88.87 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.767 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.414 ' ND2' HD21 ' A' ' 21' ' ' ASN . 25.7 t-20 -57.58 -48.93 78.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.89 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.16 -38.75 90.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.32 -51.44 17.48 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.093 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.483 HE22 ' HA ' ' A' ' 22' ' ' LEU . 20.1 mt-30 -67.94 -27.91 67.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.894 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 149.27 43.31 Favored Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.132 0.27 . . . . 0.0 111.235 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.13 144.22 68.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.777 2.318 . . . . 0.0 111.526 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.416 -179.417 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HA ' ' HB2' ' A' ' 6' ' ' ASN . 47.7 m-20 -53.19 -29.43 31.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -57.95 -28.35 64.25 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.21 -0.905 . . . . 0.0 113.409 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -133.03 -105.17 0.25 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -177.342 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -41.33 -38.76 1.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -174.85 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 15.3 m120 -57.45 -37.95 73.65 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.16 0.436 . . . . 0.0 111.689 -179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -69.36 -55.51 10.18 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.15 -37.66 83.65 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 ttm -57.98 -27.0 63.07 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -56.64 -32.45 65.36 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.635 0.255 . . . . 0.0 110.859 179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -61.27 -31.12 70.93 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.195 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.26 100.8 4.22 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.274 0.359 . . . . 0.0 111.017 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -158.39 -87.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.162 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.26 -31.53 67.52 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 0.0 111.374 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -50.37 -34.89 25.75 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.42 -47.02 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.88 63.95 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.704 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.2 tp -55.33 -40.27 70.99 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.258 0.349 . . . . 0.0 111.779 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.3 120.12 72.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -90.52 0.13 5.22 Favored 'Trans proline' 0 N--CA 1.507 2.288 0 C-N-CA 123.919 3.079 . . . . 0.0 116.845 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.487 HD21 ' ND2' ' A' ' 52' ' ' ASN . 32.0 p30 -100.11 -1.74 35.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.256 0.935 . . . . 0.0 113.244 -177.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.65 144.19 27.27 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' H ' HE21 ' A' ' 26' ' ' GLN . 77.5 m-20 -56.77 144.25 33.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.687 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -53.54 -39.71 64.92 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.05 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.61 -41.31 98.9 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.254 0.347 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.491 HE21 ' H ' ' A' ' 23' ' ' ASN . 32.5 mt-30 -64.88 -44.46 89.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -61.2 -54.28 46.21 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.67 -39.0 79.4 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.644 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.71 98.21 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.263 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.17 -47.86 82.64 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.11 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.68 -38.52 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.429 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -66.82 -41.12 88.02 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -36.98 74.51 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.805 -178.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.56 -53.15 41.03 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.82 0.343 . . . . 0.0 110.408 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.2 -36.49 84.36 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.76 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.43 -40.53 74.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.816 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -160.9 111.19 1.29 Allowed Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.13 -26.32 82.44 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.104 1.87 . . . . 0.0 113.319 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.4 p -64.48 -31.95 73.37 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.86 -28.56 61.64 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -34.34 -40.9 0.1 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.47 13.06 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 110.834 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -41.68 98.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.658 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -44.37 86.29 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.251 0.344 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.5 -47.57 85.0 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.045 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.89 99.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.583 178.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.97 -38.35 85.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.914 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.61 90.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -64.39 -32.51 74.16 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.051 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.79 -48.69 80.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.995 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.16 -35.4 80.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.767 178.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 21' ' ' ASN . 26.9 t-20 -61.28 -50.14 74.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.766 178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.29 -38.76 92.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.801 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -50.47 43.33 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.214 -178.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.31 -27.46 66.32 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.43 152.21 65.98 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -52.94 156.31 9.77 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 123.58 2.854 . . . . 0.0 113.338 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.32 179.45 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 1' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.75 -71.07 0.31 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.529 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -90.0 -60.64 1.88 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.795 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.0 152.3 7.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.644 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -81.25 56.25 2.81 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -61.82 -31.65 71.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.179 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -58.8 -40.38 83.9 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.214 0.321 . . . . 0.0 111.358 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.08 -35.6 81.65 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.181 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.96 -27.78 63.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -56.27 -28.99 60.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.88 0.59 43.48 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.853 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.5 93.88 0.5 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.613 0.244 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -163.63 -81.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.743 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -58.38 -28.39 65.12 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.024 0.203 . . . . 0.0 111.357 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.67 -37.06 67.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.351 0.407 . . . . 0.0 111.375 -179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.42 -43.55 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.12 -25.87 63.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.629 -179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.9 -38.59 79.25 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 120.99 70.04 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.232 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -89.1 2.07 5.89 Favored 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 124.051 3.167 . . . . 0.0 117.448 -177.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.44 HD21 ' ND2' ' A' ' 52' ' ' ASN . 42.5 p30 -107.96 -2.35 19.81 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.807 1.185 . . . . 0.0 114.189 -177.117 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.1 mp -85.03 144.68 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.736 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' HE21 ' A' ' 26' ' ' GLN . 20.6 t-20 -57.51 142.68 43.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.774 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.02 -39.51 63.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.112 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -63.64 -42.91 98.08 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.467 HE21 ' H ' ' A' ' 23' ' ' ASN . 30.9 mt-30 -65.1 -45.9 83.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.25 -50.37 73.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.766 -179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -62.82 -39.19 93.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 179.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.68 84.5 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.616 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.1 -54.61 42.42 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.576 0.227 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.89 -42.66 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.228 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.48 -43.27 97.79 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.301 0.376 . . . . 0.0 110.183 178.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.1 m -58.39 -36.54 73.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -37.53 85.99 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -72.72 -45.52 58.3 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.01 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.48 -41.8 98.57 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -148.3 81.52 8.02 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.35 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.95 -14.25 35.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.9 p -61.35 -24.9 66.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.547 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -94.87 3.66 54.73 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.249 0.343 . . . . 0.0 111.229 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -37.14 -55.96 0.94 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.87 99.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.019 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.16 -40.15 80.67 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.46 -45.25 95.04 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -43.6 92.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.402 178.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.19 -36.82 78.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.927 179.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.37 90.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -63.98 -37.55 87.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.832 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -60.86 -47.33 86.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.57 -36.78 81.59 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.78 178.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' HD21 ' A' ' 21' ' ' ASN . 24.4 t-20 -60.54 -50.69 72.53 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.08 178.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.39 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.193 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.35 26.51 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.067 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -66.0 -27.83 68.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.644 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.56 148.19 66.9 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.148 0.28 . . . . 0.0 110.956 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.67 169.0 15.28 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.676 -179.865 . . . . . . . . 0 0 . 1 stop_ save_